A0A087XSZ6_POEFO Loading...

Alpha-galactosidase

AlphaFold DB , UniProt , Accession A0A087XSZ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 430 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.5Very low36.1Very low220 Ų220150.5 Ų150.5100%1.08483%0.828SS**  096.30-98.8170.167.500108.5
2H31.6Very low36.2Very low195 Ų195145.2 Ų145.290%0.90382%0.818SS**  trans-127.6108.9169.1-78.216.2000106.7
3F34.2Very low36.4Very low193 Ų193143.1 Ų143.185%0.84681%0.811SS**  trans-87117.4172.5-102.2-93.2000107.7
4A33.6Very low36.5Very low95 Ų95145.9 Ų145.979%0.78582%0.817SS**  trans-88.7115.6167.200000108.3
5V35.4Very low36.8Very low124 Ų124142.8 Ų142.875%0.75280%0.804SS**  trans-83.9114.2172.9175.80000107.8I7V5-I7 HydrophobicContact CG1-CG1 4.36Å
6L34.8Very low37.3Very low153 Ų153137.8 Ų137.880%0.80178%0.777SS**  trans-82.7110170.1-95.2152.3000108.7F8L6-F8 PolarHBondContact O-N 3.39Å
7I36Very low38.3Very low149 Ų149139.4 Ų139.476%0.76477%0.774SS**  trans-83.4109.8170.6-61.6175.9000107.4V5 A9V5-I7 HydrophobicContact CG1-CG1 4.36Å; I7-A9 PolarHBondContact O-N 3.47Å
8F38.5Very low39.9Very low192 Ų192133.2 Ų133.284%0.84274%0.744SS**  trans-75.2107.5165.9-99-92.3000108.5L6 S10L6-F8 PolarHBondContact O-N 3.39Å; F8-S10 PolarHBondContact O-N 3.41Å
9A37.7Very low42Very low89 Ų89127.5 Ų127.574%0.73671%0.711SS**  trans-75.1103.7166.600000108.5I7 V11I7-A9 PolarHBondContact O-N 3.47Å; A9-V11 PolarHBondContact O-N 3.18Å
10S38.4Very low44Very low112 Ų112127.5 Ų127.578%0.78371%0.71SS**  trans-66.6111.3168.747.30000109.4F8 A12F8-S10 PolarHBondContact O-N 3.41Å; S10-A12 PolarHBondContact O-N 3.49Å
11V40.9Very low46.1Very low134 Ų134123.3 Ų123.381%0.81269%0.686SS**  trans-71.395.9168.8-179.10000107.3A9 T13A9-V11 PolarHBondContact O-N 3.18Å; V11-T13 PolarHBondContact O-N 3.24Å
12A36.4Very low48.8Very low86 Ų86114.9 Ų114.971%0.71166%0.656SS**  trans-70.7106.3166.900000107.7S10 M14S10-A12 PolarHBondContact O-N 3.49Å; A12-M14 PolarHBondContact O-N 3.01Å
13T39.5Very low51.9Low118 Ų118107.3 Ų107.372%0.72462%0.622SS**  trans-60.8107.8163.641.90000107.4V11 T15V11-T13 PolarHBondContact O-N 3.24Å; T13-T15 PolarHBondContact O-N 3.02Å
14M37.1Very low54.9Low182 Ų18298.7 Ų98.790%0.89759%0.585SS**  trans-63.1100.5168.2-72.9-165.3-171.800107.6A12 T16A12-M14 PolarHBondContact O-N 3.01Å; M14-T16 PolarHBondContact O-N 3.33Å
15T41.2Very low57.9Low100 Ų10099.2 Ų99.261%0.61357%0.566SS**  trans-67.2101.8166.347.90000106.9T13 F17T13-T15 PolarHBondContact O-N 3.02Å; T15-F17 PolarHBondContact O-N 3.04Å; T15-F17 VanDerWaalsContact O-N 3.16Å
16T45.6Very low60.9Low63 Ų6395.4 Ų95.439%0.38754%0.543SS..  trans-68110.7170.451.80000107.7M14 A18 T205 R249M14-T16 PolarHBondContact O-N 3.33Å; T16-A18 PolarHBondContact O-N 3.26Å; T16-T205 HydrophobicContact CG2-CG2 3.77Å; T16-R249 PolarHBondContact O-NH1 2.94Å
17F54.6Low64Low165 Ų16588.2 Ų88.272%0.72451%0.506SS*.  trans-62119173.9-65.1-79.3000108.1T15 Q209T15-F17 PolarHBondContact O-N 3.04Å; T15-F17 VanDerWaalsContact O-N 3.16Å; F17-Q209 WeakPolarHBondContact O-CG 3.27Å
18A66.1Low67Low27 Ų2781.3 Ų81.322%0.22347%0.471CS..  trans-75169.7170.200000109.9T16 D20 G208 R249T16-A18 PolarHBondContact O-N 3.26Å; A18-D20 PolarHBondContact O-N 3.21Å; A18-G208 CarbonylContact C-O 3.54Å; A18-G208 WeakPolarHBondContact CA-O 2.73Å; A18-R249 HydrophobicContact CB-CG 4.49Å
19L79.9Confident69.9Low25 Ų2572.4 Ų72.413%0.13143%0.432CS..  trans-55.5109163.8-179.467000107.6N21 G208 Q209L19-N21 VanDerWaalsContact C-N 3.35Å; L19-N21 HydrophobicContact CG-CB 4.28Å; L19-N21 PolarHBondContact O-N 3.28Å; L19-G208 PolarHBondContact N-O 3.01Å; L19-Q209 WeakPolarHBondContact CA-O 3.41Å; L19-Q209 WeakPolarHBondContact CB-O 3.33Å
20D81.7Confident72.8Confident128 Ų12868.1 Ų68.168%0.68440%0.397SS*.  trans-100.252.4-174.2-16122.1000111.3A18 G22 R25A18-D20 PolarHBondContact O-N 3.21Å; D20-G22 PolarHBondContact O-N 3.45Å; D20-R25 IonicContact OD1-CZ 2.95Å; D20-R25 IonicContact OD1-NH1 3.56Å; D20-R25 IonicContact OD1-NH2 2.71Å; D20-R25 PolarHBondContact OD1-NH2 3.24Å
21N88.9Confident75.7Confident39 Ų3962.8 Ų62.821%0.20936%0.359CS..SBendtrans-84.45176.369.5-4.1000113.2L19 L23 N212L19-N21 VanDerWaalsContact C-N 3.35Å; L19-N21 HydrophobicContact CG-CB 4.28Å; L19-N21 PolarHBondContact O-N 3.28Å; N21-L23 PolarHBondContact O-N 2.93Å; N21-L23 PolarHBondContact OD1-N 3.06Å; N21-L23 VanDerWaalsContact OD1-N 3.17Å; N21-N212 PolarHBondContact ND2-ND2 3.27Å; N21-N212 PolarHBondContact ND2-OD1 3.2Å; N21-N212 PolarHBondContact OD1-ND2 2.76Å
22G91.7Very high78.4Confident44 Ų4457 Ų5745%0.45432%0.324SS..SBendtrans77.4-5179.300000115.6D20D20-G22 PolarHBondContact O-N 3.45Å
23L97Very high81.4Confident35 Ų3553 Ų5318%0.18329%0.291CS..  trans-94163.6-173.9-59.6179.5000112.8N21 R25 P184N21-L23 PolarHBondContact O-N 2.93Å; N21-L23 PolarHBondContact OD1-N 3.06Å; N21-L23 VanDerWaalsContact OD1-N 3.17Å; L23-R25 VanDerWaalsContact C-N 3.27Å; L23-R25 PolarHBondContact O-N 3.37Å; L23-R25 VanDerWaalsContact O-N 3.14Å; L23-P184 HydrophobicContact CD1-CB 3.96Å; L23-P184 HydrophobicContact CD2-CB 4.2Å; L23-P184 HydrophobicContact CG-CB 4.26Å
24M97.3Very high84.2Confident13 Ų1349.1 Ų49.16%0.06426%0.263CS..  trans50.143.5170.4-57.8-179.8-178.200113.6T26 P28 Y75 M154 N212 L213 G248 W250M24-T26 CarbonylContact C-O 3.5Å; M24-T26 WeakPolarHBondContact CA-O 3.43Å; M24-T26 PolarHBondContact O-N 3.29Å; M24-T26 VanDerWaalsContact O-O 3.1Å; M24-P28 HydrophobicContact CE-CB 4.13Å; M24-P28 HydrophobicContact CE-CG 4.25Å; M24-P28 HydrophobicContact CG-CB 4.23Å; M24-P28 HydrophobicContact CG-CG 4.41Å; M24-P28 HydrophobicContact SD-CB 4.14Å; M24-P28 HydrophobicContact SD-CG 3.86Å; M24-Y75 HydrophobicContact CE-CE1 4.44Å; M24-M154 HydrophobicContact CE-CE 4.08Å; M24-M154 HydrophobicContact CE-CG 4.04Å; M24-M154 HydrophobicContact CE-SD 3.65Å; M24-N212 HydrophobicContact CB-CB 4.36Å; M24-N212 HydrophobicContact CG-CB 4.31Å; M24-N212 HydrophobicContact SD-CB 3.4Å; M24-N212 WeakPolarHBondContact SD-CB 3.3Å; M24-L213 HydrophobicContact CE-CD2 3.87Å; M24-L213 HydrophobicContact SD-CD2 3.39Å; M24-L213 WeakPolarHBondContact SD-CD2 3.42Å; M24-G248 WeakPolarHBondContact O-CA 2.99Å; M24-G248 PolarHBondContact O-N 3.47Å; M24-W250 PolarHBondContact O-NE1 3.23Å
25R97.7Very high87.2Confident105 Ų10541 Ų4140%0.39622%0.223SC..SBendtrans-65.1-19175.4-60.7-53.2-169.3-178.73.6113.1D20 L23 P247D20-R25 IonicContact OD1-CZ 2.95Å; D20-R25 IonicContact OD1-NH1 3.56Å; D20-R25 IonicContact OD1-NH2 2.71Å; D20-R25 PolarHBondContact OD1-NH2 3.24Å; L23-R25 VanDerWaalsContact C-N 3.27Å; L23-R25 PolarHBondContact O-N 3.37Å; L23-R25 VanDerWaalsContact O-N 3.14Å; R25-P247 WeakPolarHBondContact O-CA 3.34Å; R25-P247 WeakPolarHBondContact O-CB 3.48Å
26T98.6Very high89.9Confident45 Ų4539.4 Ų39.428%0.27621%0.205SC..SBendtrans-118.6162159.954.90000108.5M24 W250 Q309M24-T26 CarbonylContact C-O 3.5Å; M24-T26 WeakPolarHBondContact CA-O 3.43Å; M24-T26 PolarHBondContact O-N 3.29Å; M24-T26 VanDerWaalsContact O-O 3.1Å; T26-W250 VanDerWaalsContact C-CZ2 3.4Å; T26-W250 PolarHBondContact O-NE1 3.38Å; T26-Q309 WeakPolarHBondContact CG2-O 3.36Å; T26-Q309 PolarHBondContact OG1-OE1 3.38Å
27P98.8Very high92.4Very high1 Ų136.7 Ų36.71%0.00619%0.188CC..  trans-55.3136.5177.5-23.233.1000110.5W250 A279 A280 Q309P27-W250 HydrophobicContact CB-CD2 4.28Å; P27-W250 HydrophobicContact CG-CD2 3.93Å; P27-W250 HydrophobicContact CG-CE3 3.78Å; P27-W250 HydrophobicContact CG-CH2 3.9Å; P27-W250 HydrophobicContact CG-CZ2 4.05Å; P27-W250 HydrophobicContact CG-CZ3 3.77Å; P27-A279 HydrophobicContact CG-CB 4.34Å; P27-A279 WeakPolarHBondContact CG-O 3.31Å; P27-A280 VanDerWaalsContact CB-O 3.28Å; P27-A280 WeakPolarHBondContact CB-O 3.49Å; P27-Q309 PolarHBondContact O-NE2 3.45Å
28P98.9Very high94.5Very high5 Ų532.1 Ų32.13%0.03217%0.166CC..  trans-66.6144.6-178.827.9-33.9000110.9M24 Y75 L213 P281 L282 F283M24-P28 HydrophobicContact CE-CB 4.13Å; M24-P28 HydrophobicContact CE-CG 4.25Å; M24-P28 HydrophobicContact CG-CB 4.23Å; M24-P28 HydrophobicContact CG-CG 4.41Å; M24-P28 HydrophobicContact SD-CB 4.14Å; M24-P28 HydrophobicContact SD-CG 3.86Å; P28-Y75 HydrophobicContact CB-CD2 4.12Å; P28-Y75 HydrophobicContact CB-CE2 3.91Å; P28-L213 HydrophobicContact CG-CD1 4.31Å; P28-L213 HydrophobicContact CG-CD2 4.38Å; P28-P281 HydrophobicContact CG-CB 4.03Å; P28-P281 HydrophobicContact CG-CG 4.21Å; P28-P281 CarbonylContact O-C 3.57Å; P28-P281 WeakPolarHBondContact O-CA 3.4Å; P28-L282 PolarHBondContact O-N 2.75Å; P28-F283 HydrophobicContact CB-CE1 4.19Å; P28-F283 HydrophobicContact CB-CE2 4.38Å; P28-F283 HydrophobicContact CB-CZ 3.63Å; P28-F283 HydrophobicContact CG-CE2 3.84Å; P28-F283 HydrophobicContact CG-CZ 3.56Å
29M98.9Very high96.1Very high4 Ų433.1 Ų33.12%0.0217%0.171CC..EExtended strand (participates in β ladder)trans-124135.9176.9-57.9177.153.200109.5G72 Y73 V74 Y75 L282 I305 Q309M29-G72 WeakPolarHBondContact CB-O 3.33Å; M29-Y73 HydrophobicContact CB-CD1 3.97Å; M29-Y73 HydrophobicContact CB-CE1 4.33Å; M29-Y73 HydrophobicContact CB-CG 4.33Å; M29-Y73 HydrophobicContact CE-CD1 4.1Å; M29-Y73 HydrophobicContact CE-CD2 3.65Å; M29-Y73 HydrophobicContact CE-CE1 3.85Å; M29-Y73 HydrophobicContact CE-CE2 3.37Å; M29-Y73 HydrophobicContact CE-CG 4.01Å; M29-Y73 VanDerWaalsContact CE-CZ 3.47Å; M29-V74 PolarHBondContact O-N 3.43Å; M29-Y75 WeakPolarHBondContact O-CD2 3.3Å; M29-Y75 PolarHBondContact O-N 2.59Å; M29-L282 WeakPolarHBondContact CA-O 3.39Å; M29-L282 HydrophobicContact CB-CB 4.41Å; M29-L282 HydrophobicContact CE-CD1 4.06Å; M29-L282 HydrophobicContact CG-CB 4.03Å; M29-L282 HydrophobicContact CG-CD1 4.24Å; M29-L282 HydrophobicContact CG-CG 4.37Å; M29-L282 HydrophobicContact SD-CD1 4.28Å; M29-I305 HydrophobicContact CE-CD1 4.15Å; M29-I305 HydrophobicContact CE-CG1 4.03Å; M29-I305 HydrophobicContact CE-CG2 3.75Å; M29-I305 HydrophobicContact SD-CG2 3.95Å; M29-Q309 HydrophobicContact SD-CG 3.54Å; M29-Q309 VanDerWaalsContact SD-CG 3.54Å
30G98.9Very high97Very high0 Ų034.1 Ų34.10%018%0.176CC..EExtended strand (participates in β ladder)trans176.8-151.2-179.600000112.9Y75 L282 F283 M284G30-Y75 CarbonylContact C-O 3.56Å; G30-Y75 WeakPolarHBondContact CA-O 3.35Å; G30-L282 PolarHBondContact N-O 2.62Å; G30-F283 WeakPolarHBondContact O-CA 3.43Å; G30-M284 PolarHBondContact O-N 3.43Å
31W98.9Very high97.8Very high0 Ų031.8 Ų31.80%016%0.163CC..EExtended strand (participates in β ladder)trans-132.6141.1179.5-17998.3000109.8A33 F37 F56 M59 L63 Y75 V76 N77 M284 N286 L288W31-A33 VanDerWaalsContact CH2-CA 3.42Å; W31-A33 HydrophobicContact CH2-CB 3.48Å; W31-A33 VanDerWaalsContact CH2-CB 3.48Å; W31-A33 HydrophobicContact CZ2-CB 4.42Å; W31-A33 HydrophobicContact CZ3-CB 3.66Å; W31-F37 HydrophobicContact CH2-CD2 4.08Å; W31-F37 HydrophobicContact CH2-CE2 4.27Å; W31-F37 AromaticContact CZ2-CD2 3.64Å; W31-F37 HydrophobicContact CZ2-CD2 3.64Å; W31-F37 AromaticContact CZ2-CE2 3.48Å; W31-F37 HydrophobicContact CZ2-CE2 3.48Å; W31-F37 VanDerWaalsContact CZ2-CE2 3.48Å; W31-F37 HydrophobicContact CZ2-CZ 4.47Å; W31-F56 HydrophobicContact CH2-CE1 4.34Å; W31-F56 AromaticContact CZ3-CD1 3.89Å; W31-F56 HydrophobicContact CZ3-CD1 3.89Å; W31-F56 AromaticContact CZ3-CE1 3.76Å; W31-F56 HydrophobicContact CZ3-CE1 3.76Å; W31-M59 HydrophobicContact CD2-CB 4.4Å; W31-M59 HydrophobicContact CD2-CG 4.29Å; W31-M59 HydrophobicContact CE3-CB 4.49Å; W31-M59 HydrophobicContact CE3-CG 4.49Å; W31-M59 HydrophobicContact CH2-CG 3.87Å; W31-M59 HydrophobicContact CZ2-CE 4.43Å; W31-M59 HydrophobicContact CZ2-CG 3.61Å; W31-M59 HydrophobicContact CZ2-SD 4.08Å; W31-M59 HydrophobicContact CZ3-CG 4.31Å; W31-L63 HydrophobicContact CB-CD1 4.16Å; W31-Y75 PolarHBondContact N-O 3.11Å; W31-V76 HydrophobicContact CE3-CG1 4.21Å; W31-N77 WeakPolarHBondContact O-CB 3.34Å; W31-N77 PolarHBondContact O-N 3.44Å; W31-M284 CarbonylContact C-O 3.38Å; W31-M284 WeakPolarHBondContact CA-O 3.4Å; W31-N286 PolarHBondContact NE1-O 3.09Å; W31-L288 HydrophobicContact CG-CD1 4.36Å
32L98.9Very high98.2Very high12 Ų1233.2 Ų33.26%0.06317%0.171CC..EExtended strand (participates in β ladder)trans-135137-179.8-170.9149.9000109.1W34 N77 D79 K156 M255 F283 M284 S285L32-W34 HydrophobicContact CD2-CB 3.45Å; L32-W34 VanDerWaalsContact CD2-CB 3.45Å; L32-W34 PolarHBondContact O-N 3.17Å; L32-N77 HydrophobicContact CB-CB 4.09Å; L32-N77 HydrophobicContact CD1-CB 4.04Å; L32-N77 HydrophobicContact CG-CB 3.95Å; L32-D79 HydrophobicContact CD2-CB 4.06Å; L32-D79 WeakPolarHBondContact CD2-OD2 3.3Å; L32-K156 HydrophobicContact CD1-CD 4.49Å; L32-M255 HydrophobicContact CB-CG 4.4Å; L32-M255 HydrophobicContact CB-SD 4.31Å; L32-M255 HydrophobicContact CD2-CE 4.39Å; L32-M255 HydrophobicContact CD2-CG 4.18Å; L32-M255 HydrophobicContact CD2-SD 3.29Å; L32-M255 WeakPolarHBondContact CD2-SD 3.38Å; L32-M255 HydrophobicContact CG-SD 4.32Å; L32-F283 HydrophobicContact CB-CB 4.24Å; L32-M284 PolarHBondContact N-O 3.32Å; L32-S285 VanDerWaalsContact O-CA 3.31Å; L32-S285 WeakPolarHBondContact O-CA 3.17Å; L32-S285 WeakPolarHBondContact O-CB 3.4Å; L32-S285 PolarHBondContact O-OG 2.82Å
33A98.9Very high98.6Very high2 Ų233 Ų332%0.01716%0.162CC..SBendtrans-74.7-23.6-167.400000115.4W31 F37 I51 F56 N77W31-A33 VanDerWaalsContact CH2-CA 3.42Å; W31-A33 HydrophobicContact CH2-CB 3.48Å; W31-A33 VanDerWaalsContact CH2-CB 3.48Å; W31-A33 HydrophobicContact CZ2-CB 4.42Å; W31-A33 HydrophobicContact CZ3-CB 3.66Å; A33-F37 WeakPolarHBondContact O-CB 3.43Å; A33-F37 PolarHBondContact O-N 3.18Å; A33-I51 HydrophobicContact CB-CD1 4.24Å; A33-F56 HydrophobicContact CB-CE1 3.98Å; A33-F56 HydrophobicContact CB-CZ 4.11Å; A33-N77 PolarHBondContact N-O 2.94Å
34W98.9Very high98.6Very high37 Ų3737.2 Ų37.214%0.1419%0.189CC..Hα-helixtrans-60-54.8-158.8-174.2-123.4000115.2L32 R36 R38 C39 D79 D80 D219 M255L32-W34 HydrophobicContact CD2-CB 3.45Å; L32-W34 VanDerWaalsContact CD2-CB 3.45Å; L32-W34 PolarHBondContact O-N 3.17Å; W34-R36 VanDerWaalsContact C-N 3.31Å; W34-R36 PolarHBondContact O-N 3.32Å; W34-R38 WeakPolarHBondContact O-CA 3.32Å; W34-R38 WeakPolarHBondContact O-CD 3.22Å; W34-R38 WeakPolarHBondContact O-CG 3.49Å; W34-R38 PolarHBondContact O-N 2.81Å; W34-R38 PolarHBondContact O-NE 2.95Å; W34-C39 HydrophobicContact CZ3-CB 4.37Å; W34-D79 HydrophobicContact CB-CB 3.83Å; W34-D79 HydrophobicContact CE3-CB 4.31Å; W34-D80 HydrophobicContact CE3-CB 4.31Å; W34-D80 HydrophobicContact CH2-CB 4.31Å; W34-D80 HydrophobicContact CZ3-CB 3.76Å; W34-D219 PolarHBondContact NE1-OD2 3.32Å; W34-M255 HydrophobicContact CB-CE 4Å; W34-M255 HydrophobicContact CB-SD 4Å; W34-M255 HydrophobicContact CG-CE 4.31Å
35E98.8Very high98.6Very high12 Ų1242.6 Ų42.66%0.05622%0.218CC..Hα-helixtrans-62.6-41-169.8-154.3-72.1138.800111.8R38 I220 D222 M255 V257 S285E35-R38 PolarHBondContact O-NE 2.92Å; E35-R38 PolarHBondContact O-NH2 3.05Å; E35-R38 IonicContact OE1-CZ 2.72Å; E35-R38 IonicContact OE1-NH2 3.99Å; E35-R38 PolarHBondContact OE1-NH2 3.21Å; E35-I220 HydrophobicContact CG-CG2 4.05Å; E35-D222 WeakPolarHBondContact OE1-CB 3.19Å; E35-D222 PolarHBondContact OE1-N 3.03Å; E35-M255 HydrophobicContact CB-CE 3.72Å; E35-M255 HydrophobicContact CB-SD 3.81Å; E35-M255 HydrophobicContact CG-CE 4.37Å; E35-V257 HydrophobicContact CB-CG1 4.3Å; E35-V257 HydrophobicContact CG-CG1 3.48Å; E35-V257 VanDerWaalsContact CG-CG1 3.48Å; E35-S285 WeakPolarHBondContact CA-OG 3.43Å; E35-S285 WeakPolarHBondContact CB-OG 3.36Å; E35-S285 PolarHBondContact N-OG 3.06Å
36R98.9Very high98.7Very high65 Ų6540.2 Ų40.225%0.24521%0.213CC..Hα-helixtrans-90.5-38-173177.359.5-175.889.84.3113.9W34 D260 S285W34-R36 VanDerWaalsContact C-N 3.31Å; W34-R36 PolarHBondContact O-N 3.32Å; R36-D260 VanDerWaalsContact CD-OD1 3.29Å; R36-D260 WeakPolarHBondContact CD-OD1 3.29Å; R36-D260 IonicContact NE-OD1 3.46Å; R36-S285 WeakPolarHBondContact CB-O 3.47Å; R36-S285 PolarHBondContact N-OG 2.77Å
37F98.9Very high98.6Very high7 Ų741.6 Ų41.63%0.03122%0.223CC..Hα-helixtrans-106.9-18-173.1-61.3-85.7000113.1W31 A33 C39 D40 N49 I51 L55 M59 D287W31-F37 HydrophobicContact CH2-CD2 4.08Å; W31-F37 HydrophobicContact CH2-CE2 4.27Å; W31-F37 AromaticContact CZ2-CD2 3.64Å; W31-F37 HydrophobicContact CZ2-CD2 3.64Å; W31-F37 AromaticContact CZ2-CE2 3.48Å; W31-F37 HydrophobicContact CZ2-CE2 3.48Å; W31-F37 VanDerWaalsContact CZ2-CE2 3.48Å; W31-F37 HydrophobicContact CZ2-CZ 4.47Å; A33-F37 WeakPolarHBondContact O-CB 3.43Å; A33-F37 PolarHBondContact O-N 3.18Å; F37-C39 PolarHBondContact O-N 2.85Å; F37-D40 PolarHBondContact O-N 3.25Å; F37-N49 HydrophobicContact CD1-CB 4.1Å; F37-N49 WeakPolarHBondContact CD1-O 3.48Å; F37-N49 HydrophobicContact CE1-CB 4.22Å; F37-I51 HydrophobicContact CB-CD1 3.72Å; F37-L55 HydrophobicContact CB-CD2 4.11Å; F37-L55 HydrophobicContact CD1-CD1 3.88Å; F37-L55 HydrophobicContact CD1-CD2 3.84Å; F37-L55 HydrophobicContact CD2-CD2 4.42Å; F37-L55 HydrophobicContact CE1-CD1 3.56Å; F37-L55 HydrophobicContact CE1-CD2 4.39Å; F37-L55 HydrophobicContact CE2-CD1 4.48Å; F37-L55 HydrophobicContact CG-CD1 4.43Å; F37-L55 HydrophobicContact CG-CD2 3.84Å; F37-L55 HydrophobicContact CZ-CD1 3.9Å; F37-M59 HydrophobicContact CE1-CE 4.4Å; F37-M59 HydrophobicContact CE2-CE 4.12Å; F37-M59 HydrophobicContact CZ-CE 3.6Å; F37-D287 HydrophobicContact CZ-CB 3.92Å
38R98.7Very high98.6Very high68 Ų6848.6 Ų48.626%0.25725%0.253SS..THydrogen-bonded Turntrans51.3-135.6171.6-58.7-75.3173.6179.55.6111.1W34 E35 I51 Q221W34-R38 WeakPolarHBondContact O-CA 3.32Å; W34-R38 WeakPolarHBondContact O-CD 3.22Å; W34-R38 WeakPolarHBondContact O-CG 3.49Å; W34-R38 PolarHBondContact O-N 2.81Å; W34-R38 PolarHBondContact O-NE 2.95Å; E35-R38 PolarHBondContact O-NE 2.92Å; E35-R38 PolarHBondContact O-NH2 3.05Å; E35-R38 IonicContact OE1-CZ 2.72Å; E35-R38 IonicContact OE1-NH2 3.99Å; E35-R38 PolarHBondContact OE1-NH2 3.21Å; R38-I51 WeakPolarHBondContact O-CD1 3.45Å; R38-I51 WeakPolarHBondContact O-CG1 3.24Å; R38-Q221 VanDerWaalsContact NH2-OE1 3.09Å
39C98.6Very high98.6Very high48 Ų4850 Ų5032%0.32426%0.261SS..THydrogen-bonded Turntrans-108.739.8178.2-165.50000111W34 F37 I41 C81W34-C39 HydrophobicContact CZ3-CB 4.37Å; F37-C39 PolarHBondContact O-N 2.85Å; C39-I41 PolarHBondContact O-N 3.13Å; C39-C81 HydrophobicContact CB-CB 4.03Å; C39-C81 WeakPolarHBondContact CB-SG 3.48Å; C39-C81 WeakPolarHBondContact SG-CB 3.45Å; C39-C81 CovalentContact SG-SG 2.02Å; C39-C81 PolarHBondContact SG-SG 2.92Å
40D98.6Very high98.6Very high46 Ų4649.9 Ų49.925%0.24626%0.26CS..  trans-71.6114173-178.510.6000109.9F37 D42 C50 I51F37-D40 PolarHBondContact O-N 3.25Å; D40-D42 PolarHBondContact OD1-N 3.31Å; D40-C50 CarbonylContact O-C 3.47Å; D40-C50 VanDerWaalsContact O-CA 3.24Å; D40-C50 WeakPolarHBondContact O-CA 3.36Å; D40-I51 WeakPolarHBondContact O-CG1 3.5Å; D40-I51 PolarHBondContact O-N 3.36Å
41I98.6Very high98.6Very high80 Ų8050 Ų5041%0.4126%0.261SS..  trans-116.94.1179.862.7172.5000112.6C39 C43 C81C39-I41 PolarHBondContact O-N 3.13Å; I41-C43 VanDerWaalsContact C-N 3.25Å; I41-C43 PolarHBondContact O-N 2.72Å; I41-C81 HydrophobicContact CG2-CB 4.21Å
42D98.4Very high98.6Very high69 Ų6950.3 Ų50.337%0.36926%0.263SS..  trans-82.870.6-179.4-171.7-4.3000111.1D40 T44 N45 D46D40-D42 PolarHBondContact OD1-N 3.31Å; D42-T44 PolarHBondContact O-N 3.38Å; D42-T44 VanDerWaalsContact O-N 3.1Å; D42-T44 PolarHBondContact OD1-N 2.78Å; D42-N45 PolarHBondContact O-N 3.41Å; D42-N45 PolarHBondContact OD1-N 3.21Å; D42-N45 PolarHBondContact OD1-ND2 2.86Å; D42-N45 WeakPolarHBondContact OD2-CB 3.25Å; D42-N45 PolarHBondContact OD2-ND2 3.49Å; D42-D46 CarbonylContact O-C 3.55Å; D42-D46 WeakPolarHBondContact O-CA 3.42Å; D42-D46 PolarHBondContact O-N 2.85Å
43C98.3Very high98.6Very high38 Ų3850.6 Ų50.626%0.25726%0.264SS..THydrogen-bonded Turntrans-68.7-5.5177.1-610000114.1I41 P47 C50I41-C43 VanDerWaalsContact C-N 3.25Å; I41-C43 PolarHBondContact O-N 2.72Å; C43-P47 WeakPolarHBondContact O-CA 3.39Å; C43-P47 WeakPolarHBondContact O-CB 3.43Å; C43-C50 WeakPolarHBondContact CA-SG 3.4Å; C43-C50 HydrophobicContact CB-CB 3.96Å; C43-C50 WeakPolarHBondContact CB-SG 3.39Å; C43-C50 WeakPolarHBondContact SG-CB 3.44Å; C43-C50 CovalentContact SG-SG 2.03Å; C43-C50 PolarHBondContact SG-SG 3.32Å
44T97.9Very high98.6Very high124 Ų12455.4 Ų55.476%0.76129%0.29SS*.THydrogen-bonded Turntrans-81-46.4175.3-58.80000110.1D42D42-T44 PolarHBondContact O-N 3.38Å; D42-T44 VanDerWaalsContact O-N 3.1Å; D42-T44 PolarHBondContact OD1-N 2.78Å
45N98.3Very high98.6Very high127 Ų12753.8 Ų53.868%0.67928%0.284SS*.THydrogen-bonded Turntrans-96.7-25.4-177.2-58.6-55.9000113.2D42 P47D42-N45 PolarHBondContact O-N 3.41Å; D42-N45 PolarHBondContact OD1-N 3.21Å; D42-N45 PolarHBondContact OD1-ND2 2.86Å; D42-N45 WeakPolarHBondContact OD2-CB 3.25Å; D42-N45 PolarHBondContact OD2-ND2 3.49Å; N45-P47 VanDerWaalsContact C-CD 3.47Å
46D98.3Very high98.6Very high54 Ų5453.2 Ų53.229%0.28928%0.281SS..  trans-128.663.2174.3-160.7-8000113.2D42 K48 N49 C50D42-D46 CarbonylContact O-C 3.55Å; D42-D46 WeakPolarHBondContact O-CA 3.42Å; D42-D46 PolarHBondContact O-N 2.85Å; D46-K48 PolarHBondContact O-N 2.81Å; D46-N49 VanDerWaalsContact CG-ND2 3.25Å; D46-N49 PolarHBondContact O-N 2.87Å; D46-N49 WeakPolarHBondContact OD1-CB 3.47Å; D46-N49 PolarHBondContact OD1-N 2.88Å; D46-N49 PolarHBondContact OD1-ND2 2.84Å; D46-N49 WeakPolarHBondContact OD2-CB 3.39Å; D46-N49 PolarHBondContact OD2-ND2 3.16Å; D46-C50 WeakPolarHBondContact O-CB 3.33Å; D46-C50 PolarHBondContact O-N 3.19Å
47P97.9Very high98.6Very high75 Ų7551.6 Ų51.649%0.48728%0.277SS..THydrogen-bonded Turntrans-64.1-13.9-175.126.3-36000114.4C43 N45C43-P47 WeakPolarHBondContact O-CA 3.39Å; C43-P47 WeakPolarHBondContact O-CB 3.43Å; N45-P47 VanDerWaalsContact C-CD 3.47Å
48K98.1Very high98.6Very high147 Ų14753.7 Ų53.764%0.63929%0.288SS*.THydrogen-bonded Turntrans-93.9-22.1-178.8-70.1-171.1178.5-175.50112.8D46 R289D46-K48 PolarHBondContact O-N 2.81Å; K48-R289 PolarHBondContact O-NH1 3.27Å; K48-R289 PolarHBondContact O-NH2 2.81Å; K48-R289 VanDerWaalsContact O-NH2 3.08Å
49N98.6Very high98.6Very high36 Ų3650.5 Ų50.519%0.19328%0.276CS..THydrogen-bonded Turntrans-117.5-16.8-175.1-52.7-43.4000113.1F37 D46 R289F37-N49 HydrophobicContact CD1-CB 4.1Å; F37-N49 WeakPolarHBondContact CD1-O 3.48Å; F37-N49 HydrophobicContact CE1-CB 4.22Å; D46-N49 VanDerWaalsContact CG-ND2 3.25Å; D46-N49 PolarHBondContact O-N 2.87Å; D46-N49 WeakPolarHBondContact OD1-CB 3.47Å; D46-N49 PolarHBondContact OD1-N 2.88Å; D46-N49 PolarHBondContact OD1-ND2 2.84Å; D46-N49 WeakPolarHBondContact OD2-CB 3.39Å; D46-N49 PolarHBondContact OD2-ND2 3.16Å; N49-R289 PolarHBondContact OD1-NH2 3.18Å
50C98.8Very high98.6Very high1 Ų148.2 Ų48.21%0.00726%0.261CS..SBendtrans-59.2146.9175.276.20000112D40 C43 D46 S52D40-C50 CarbonylContact O-C 3.47Å; D40-C50 VanDerWaalsContact O-CA 3.24Å; D40-C50 WeakPolarHBondContact O-CA 3.36Å; C43-C50 WeakPolarHBondContact CA-SG 3.4Å; C43-C50 HydrophobicContact CB-CB 3.96Å; C43-C50 WeakPolarHBondContact CB-SG 3.39Å; C43-C50 WeakPolarHBondContact SG-CB 3.44Å; C43-C50 CovalentContact SG-SG 2.03Å; C43-C50 PolarHBondContact SG-SG 3.32Å; D46-C50 WeakPolarHBondContact O-CB 3.33Å; D46-C50 PolarHBondContact O-N 3.19Å; C50-S52 PolarHBondContact O-N 3.01Å; C50-S52 PolarHBondContact O-OG 3.47Å; C50-S52 VanDerWaalsContact O-OG 3.12Å
51I98.9Very high98.6Very high2 Ų247.1 Ų47.11%0.0126%0.255CS..SBendtrans-6497174.5-57.6-55.1000108.9A33 F37 R38 D40 L55 F56 R99 F100A33-I51 HydrophobicContact CB-CD1 4.24Å; F37-I51 HydrophobicContact CB-CD1 3.72Å; R38-I51 WeakPolarHBondContact O-CD1 3.45Å; R38-I51 WeakPolarHBondContact O-CG1 3.24Å; D40-I51 WeakPolarHBondContact O-CG1 3.5Å; D40-I51 PolarHBondContact O-N 3.36Å; I51-L55 HydrophobicContact CD1-CD2 3.99Å; I51-F56 HydrophobicContact CG2-CE2 4.17Å; I51-F56 HydrophobicContact CG2-CZ 4.35Å; I51-R99 WeakPolarHBondContact O-CD 3.31Å; I51-R99 PolarHBondContact O-NH1 3.49Å; I51-F100 HydrophobicContact CG2-CE2 4.33Å; I51-F100 HydrophobicContact CG2-CZ 4.03Å
52S98.9Very high98.6Very high7 Ų745.7 Ų45.75%0.04925%0.245CC..SBendtrans-148159.9-174.8630000111.1C50 N54 L55 F56 R99C50-S52 PolarHBondContact O-N 3.01Å; C50-S52 PolarHBondContact O-OG 3.47Å; C50-S52 VanDerWaalsContact O-OG 3.12Å; S52-N54 PolarHBondContact O-N 3.35Å; S52-L55 WeakPolarHBondContact O-CB 3.47Å; S52-L55 PolarHBondContact O-N 3.2Å; S52-F56 WeakPolarHBondContact O-CD2 3.34Å; S52-F56 PolarHBondContact O-N 3.39Å; S52-R99 CarbonylContact C-O 3.53Å; S52-R99 WeakPolarHBondContact CA-O 3.38Å; S52-R99 WeakPolarHBondContact CB-O 3.42Å
53E98.8Very high98.6Very high18 Ų1842.4 Ų42.48%0.08423%0.227CC..Hα-helixtrans-51.1-39.4175.5175.5174.7-117.200112L55 F56 I57 R99 F100 G102 L107E53-L55 PolarHBondContact O-N 3.24Å; E53-F56 PolarHBondContact O-N 2.95Å; E53-I57 HydrophobicContact CG-CD1 3.79Å; E53-I57 HydrophobicContact CG-CG1 4.44Å; E53-I57 WeakPolarHBondContact O-CG1 3.32Å; E53-I57 PolarHBondContact O-N 2.9Å; E53-R99 PolarHBondContact N-O 2.95Å; E53-F100 HydrophobicContact CB-CB 4.49Å; E53-F100 HydrophobicContact CB-CD1 3.89Å; E53-F100 HydrophobicContact CB-CG 4.42Å; E53-G102 WeakPolarHBondContact OE1-CA 3.26Å; E53-G102 PolarHBondContact OE2-N 3.47Å; E53-L107 HydrophobicContact CG-CD1 4.23Å
54N98.8Very high98.7Very high103 Ų10346 Ų4655%0.55124%0.236SC*.Hα-helixtrans-64-37.9179.1-71.1-21.8000113S52 F56 I57 D58S52-N54 PolarHBondContact O-N 3.35Å; N54-F56 VanDerWaalsContact C-N 3.34Å; N54-F56 PolarHBondContact O-N 2.71Å; N54-I57 PolarHBondContact O-N 3.44Å; N54-D58 WeakPolarHBondContact O-CB 3.37Å; N54-D58 PolarHBondContact O-N 2.82Å
55L98.9Very high98.7Very high2 Ų245.7 Ų45.71%0.0123%0.226CC..Hα-helixtrans-59.9-47.2176.1175.965.3000110.6F37 I51 S52 E53 D58 M59F37-L55 HydrophobicContact CB-CD2 4.11Å; F37-L55 HydrophobicContact CD1-CD1 3.88Å; F37-L55 HydrophobicContact CD1-CD2 3.84Å; F37-L55 HydrophobicContact CD2-CD2 4.42Å; F37-L55 HydrophobicContact CE1-CD1 3.56Å; F37-L55 HydrophobicContact CE1-CD2 4.39Å; F37-L55 HydrophobicContact CE2-CD1 4.48Å; F37-L55 HydrophobicContact CG-CD1 4.43Å; F37-L55 HydrophobicContact CG-CD2 3.84Å; F37-L55 HydrophobicContact CZ-CD1 3.9Å; I51-L55 HydrophobicContact CD1-CD2 3.99Å; S52-L55 WeakPolarHBondContact O-CB 3.47Å; S52-L55 PolarHBondContact O-N 3.2Å; E53-L55 PolarHBondContact O-N 3.24Å; L55-D58 WeakPolarHBondContact O-CB 3.15Å; L55-D58 PolarHBondContact O-N 2.86Å; L55-M59 HydrophobicContact CD1-CE 3.61Å; L55-M59 VanDerWaalsContact O-CG 3.32Å; L55-M59 WeakPolarHBondContact O-CG 3.13Å; L55-M59 PolarHBondContact O-N 3.47Å
56F98.9Very high98.7Very high0 Ų041.9 Ų41.90%021%0.205CC..Hα-helixtrans-69.6-35.4-179.3-63.3-77.9000112.2W31 A33 I51 S52 E53 N54 M59 A60 V76 I78 F100 L107 M111W31-F56 HydrophobicContact CH2-CE1 4.34Å; W31-F56 AromaticContact CZ3-CD1 3.89Å; W31-F56 HydrophobicContact CZ3-CD1 3.89Å; W31-F56 AromaticContact CZ3-CE1 3.76Å; W31-F56 HydrophobicContact CZ3-CE1 3.76Å; A33-F56 HydrophobicContact CB-CE1 3.98Å; A33-F56 HydrophobicContact CB-CZ 4.11Å; I51-F56 HydrophobicContact CG2-CE2 4.17Å; I51-F56 HydrophobicContact CG2-CZ 4.35Å; S52-F56 WeakPolarHBondContact O-CD2 3.34Å; S52-F56 PolarHBondContact O-N 3.39Å; E53-F56 PolarHBondContact O-N 2.95Å; N54-F56 VanDerWaalsContact C-N 3.34Å; N54-F56 PolarHBondContact O-N 2.71Å; F56-M59 PolarHBondContact O-N 3.16Å; F56-A60 VanDerWaalsContact O-CB 3.24Å; F56-A60 WeakPolarHBondContact O-CB 3.37Å; F56-A60 PolarHBondContact O-N 3.46Å; F56-V76 HydrophobicContact CD1-CG1 4.09Å; F56-I78 HydrophobicContact CD1-CG1 3.89Å; F56-I78 HydrophobicContact CD2-CG1 4.27Å; F56-I78 HydrophobicContact CE1-CB 4.02Å; F56-I78 HydrophobicContact CE1-CG1 3.58Å; F56-I78 HydrophobicContact CE1-CG2 4.42Å; F56-I78 HydrophobicContact CE2-CG1 4.05Å; F56-I78 HydrophobicContact CE2-CG2 4.34Å; F56-I78 HydrophobicContact CG-CG1 4.23Å; F56-I78 HydrophobicContact CZ-CB 3.97Å; F56-I78 HydrophobicContact CZ-CG1 3.7Å; F56-I78 HydrophobicContact CZ-CG2 3.86Å; F56-F100 AromaticContact CD2-CE1 3.8Å; F56-F100 HydrophobicContact CD2-CE1 3.8Å; F56-F100 HydrophobicContact CD2-CZ 4.22Å; F56-F100 AromaticContact CE2-CE1 3.79Å; F56-F100 HydrophobicContact CE2-CE1 3.79Å; F56-F100 AromaticContact CE2-CZ 3.74Å; F56-F100 HydrophobicContact CE2-CZ 3.74Å; F56-L107 HydrophobicContact CB-CD1 4.13Å; F56-L107 HydrophobicContact CB-CD2 4.05Å; F56-L107 HydrophobicContact CD2-CD2 4.33Å; F56-L107 HydrophobicContact CG-CD2 4.35Å; F56-M111 HydrophobicContact CB-CE 3.92Å
57I98.9Very high98.7Very high32 Ų3240.5 Ų40.516%0.16420%0.204CC..Hα-helixtrans-60.5-48.9171.6-76171.8000110.8E53 N54 M59 A60 D61 L107 Y110E53-I57 HydrophobicContact CG-CD1 3.79Å; E53-I57 HydrophobicContact CG-CG1 4.44Å; E53-I57 WeakPolarHBondContact O-CG1 3.32Å; E53-I57 PolarHBondContact O-N 2.9Å; N54-I57 PolarHBondContact O-N 3.44Å; I57-M59 VanDerWaalsContact C-N 3.33Å; I57-M59 PolarHBondContact O-N 2.87Å; I57-A60 WeakPolarHBondContact O-CB 3.35Å; I57-A60 PolarHBondContact O-N 3.44Å; I57-D61 PolarHBondContact O-N 2.79Å; I57-L107 HydrophobicContact CG1-CD1 3.97Å; I57-Y110 HydrophobicContact CB-CE1 4.11Å; I57-Y110 HydrophobicContact CG1-CD1 3.98Å; I57-Y110 HydrophobicContact CG1-CE1 3.9Å; I57-Y110 HydrophobicContact CG1-CG 4.33Å; I57-Y110 HydrophobicContact CG2-CE1 3.81Å; I57-Y110 HydrophobicContact CG2-CE2 4.46Å; I57-Y110 WeakPolarHBondContact CG2-OH 3.47Å
58D98.9Very high98.7Very high51 Ų5136.9 Ų36.927%0.27318%0.181SC..Hα-helixtrans-57.3-47178.6-91.1-5.2000111.2N54 L55 D61 R62 R289N54-D58 WeakPolarHBondContact O-CB 3.37Å; N54-D58 PolarHBondContact O-N 2.82Å; L55-D58 WeakPolarHBondContact O-CB 3.15Å; L55-D58 PolarHBondContact O-N 2.86Å; D58-D61 PolarHBondContact O-N 2.64Å; D58-R62 WeakPolarHBondContact O-CG 3.24Å; D58-R62 PolarHBondContact O-N 3.16Å; D58-R62 PolarHBondContact O-NH1 3.19Å; D58-R289 WeakPolarHBondContact OD2-CD 3.35Å; D58-R289 IonicContact OD2-CZ 3.9Å; D58-R289 IonicContact OD2-NH1 3.53Å; D58-R289 PolarHBondContact OD2-NH1 3.28Å
59M98.9Very high98.7Very high0 Ų032.6 Ų32.60%016%0.162CC..Hα-helixtrans-65.4-44.3178.6-62.7-55.9153.400110.9W31 F37 L55 F56 I57 D61 R62 L63 L288 R289W31-M59 HydrophobicContact CD2-CB 4.4Å; W31-M59 HydrophobicContact CD2-CG 4.29Å; W31-M59 HydrophobicContact CE3-CB 4.49Å; W31-M59 HydrophobicContact CE3-CG 4.49Å; W31-M59 HydrophobicContact CH2-CG 3.87Å; W31-M59 HydrophobicContact CZ2-CE 4.43Å; W31-M59 HydrophobicContact CZ2-CG 3.61Å; W31-M59 HydrophobicContact CZ2-SD 4.08Å; W31-M59 HydrophobicContact CZ3-CG 4.31Å; F37-M59 HydrophobicContact CE1-CE 4.4Å; F37-M59 HydrophobicContact CE2-CE 4.12Å; F37-M59 HydrophobicContact CZ-CE 3.6Å; L55-M59 HydrophobicContact CD1-CE 3.61Å; L55-M59 VanDerWaalsContact O-CG 3.32Å; L55-M59 WeakPolarHBondContact O-CG 3.13Å; L55-M59 PolarHBondContact O-N 3.47Å; F56-M59 PolarHBondContact O-N 3.16Å; I57-M59 VanDerWaalsContact C-N 3.33Å; I57-M59 PolarHBondContact O-N 2.87Å; M59-D61 VanDerWaalsContact C-N 3.32Å; M59-D61 PolarHBondContact O-N 3.42Å; M59-R62 CarbonylContact O-C 3.52Å; M59-R62 PolarHBondContact O-N 3.02Å; M59-R62 VanDerWaalsContact O-N 3.09Å; M59-L63 HydrophobicContact CB-CD1 4.36Å; M59-L63 WeakPolarHBondContact O-CD1 3.23Å; M59-L63 PolarHBondContact O-N 2.85Å; M59-L288 HydrophobicContact SD-CB 3.91Å; M59-L288 HydrophobicContact SD-CD1 4.4Å; M59-L288 HydrophobicContact SD-CG 4.23Å; M59-R289 HydrophobicContact CE-CG 4.23Å
60A98.9Very high98.7Very high0 Ų036.8 Ų36.80%018%0.18CC..Hα-helixtrans-58-43.117700000112.6F56 I57 R62 L63 Y64 Y110 M111 L116F56-A60 VanDerWaalsContact O-CB 3.24Å; F56-A60 WeakPolarHBondContact O-CB 3.37Å; F56-A60 PolarHBondContact O-N 3.46Å; I57-A60 WeakPolarHBondContact O-CB 3.35Å; I57-A60 PolarHBondContact O-N 3.44Å; A60-R62 VanDerWaalsContact C-N 3.35Å; A60-L63 PolarHBondContact O-N 2.87Å; A60-Y64 WeakPolarHBondContact O-CB 3.39Å; A60-Y64 PolarHBondContact O-N 2.87Å; A60-Y110 HydrophobicContact CB-CD1 4.39Å; A60-Y110 HydrophobicContact CB-CE1 4.24Å; A60-M111 HydrophobicContact CB-CE 3.92Å; A60-M111 HydrophobicContact CB-SD 3.35Å; A60-M111 WeakPolarHBondContact CB-SD 3.46Å; A60-L116 HydrophobicContact CB-CD1 3.85Å; A60-L116 WeakPolarHBondContact O-CD1 3.48Å
61D98.9Very high98.7Very high23 Ų2338.2 Ų38.212%0.12319%0.188CC..Hα-helixtrans-63.9-40.5175.6-71.2-23.2000110.9I57 D58 M59 Y64 E65 Y110 R114I57-D61 PolarHBondContact O-N 2.79Å; D58-D61 PolarHBondContact O-N 2.64Å; M59-D61 VanDerWaalsContact C-N 3.32Å; M59-D61 PolarHBondContact O-N 3.42Å; D61-Y64 PolarHBondContact O-N 2.95Å; D61-E65 VanDerWaalsContact O-CB 3.27Å; D61-E65 WeakPolarHBondContact O-CB 3.46Å; D61-E65 VanDerWaalsContact O-CG 3.23Å; D61-E65 WeakPolarHBondContact O-CG 3.09Å; D61-E65 PolarHBondContact O-N 3.41Å; D61-Y110 VanDerWaalsContact CG-OH 3.31Å; D61-Y110 PolarHBondContact OD1-OH 2.98Å; D61-Y110 PolarHBondContact OD2-OH 2.78Å; D61-R114 IonicContact OD1-CZ 2.8Å; D61-R114 VanDerWaalsContact OD1-CZ 3.26Å; D61-R114 IonicContact OD1-NE 3.51Å; D61-R114 PolarHBondContact OD1-NE 3Å; D61-R114 IonicContact OD1-NH2 3.64Å; D61-R114 PolarHBondContact OD1-NH2 2.94Å
62R98.9Very high98.7Very high51 Ų5139.5 Ų39.519%0.19220%0.202CC..Hα-helixtrans-64.5-43.8173.5-62.7-5380.370.7-8112.1D58 M59 A60 Y64 E65 D66 L288 R289D58-R62 WeakPolarHBondContact O-CG 3.24Å; D58-R62 PolarHBondContact O-N 3.16Å; D58-R62 PolarHBondContact O-NH1 3.19Å; M59-R62 CarbonylContact O-C 3.52Å; M59-R62 PolarHBondContact O-N 3.02Å; M59-R62 VanDerWaalsContact O-N 3.09Å; A60-R62 VanDerWaalsContact C-N 3.35Å; R62-Y64 PolarHBondContact O-N 3.19Å; R62-E65 IonicContact CZ-OE2 3.51Å; R62-E65 IonicContact NE-OE2 3.98Å; R62-E65 IonicContact NH2-OE1 3.59Å; R62-E65 IonicContact NH2-OE2 3.95Å; R62-E65 PolarHBondContact NH2-OE2 2.84Å; R62-E65 PolarHBondContact O-N 2.84Å; R62-D66 VanDerWaalsContact O-CB 3.29Å; R62-D66 WeakPolarHBondContact O-CB 3.2Å; R62-D66 PolarHBondContact O-N 2.83Å; R62-L288 HydrophobicContact CB-CB 3.81Å; R62-L288 HydrophobicContact CB-CD1 4.47Å; R62-L288 HydrophobicContact CG-CB 4.17Å; R62-R289 HydrophobicContact CG-CG 4.14Å
63L98.8Very high98.7Very high0 Ų039.2 Ų39.20%020%0.199CC..Hα-helixtrans-57.9-39.7177-87.588.2000111.7W31 M59 A60 W68 K69 Y73 V76 L116 L288W31-L63 HydrophobicContact CB-CD1 4.16Å; M59-L63 HydrophobicContact CB-CD1 4.36Å; M59-L63 WeakPolarHBondContact O-CD1 3.23Å; M59-L63 PolarHBondContact O-N 2.85Å; A60-L63 PolarHBondContact O-N 2.87Å; L63-W68 HydrophobicContact CB-CB 4.36Å; L63-W68 HydrophobicContact CG-CB 4.23Å; L63-W68 PolarHBondContact O-N 2.93Å; L63-K69 WeakPolarHBondContact O-CB 3.41Å; L63-K69 PolarHBondContact O-N 3.49Å; L63-Y73 WeakPolarHBondContact CD2-O 3.3Å; L63-V76 HydrophobicContact CD1-CG2 4.38Å; L63-V76 HydrophobicContact CD2-CG2 4.03Å; L63-L116 HydrophobicContact CB-CD1 4.02Å; L63-L116 HydrophobicContact CB-CD2 4.11Å; L63-L116 HydrophobicContact CD2-CD2 4.2Å; L63-L288 HydrophobicContact CD1-CD1 3.27Å; L63-L288 HydrophobicContact CG-CD1 4.12Å
64Y98.6Very high98.7Very high114 Ų11440 Ų4045%0.44721%0.205SC..Hα-helixtrans-75.9-41.5-179.8179-101.4000113.4A60 D61 R62 K69 R114A60-Y64 WeakPolarHBondContact O-CB 3.39Å; A60-Y64 PolarHBondContact O-N 2.87Å; D61-Y64 PolarHBondContact O-N 2.95Å; R62-Y64 PolarHBondContact O-N 3.19Å; Y64-K69 HydrophobicContact CD2-CD 4.2Å; Y64-R114 HydrophobicContact CD2-CB 3.89Å; Y64-R114 HydrophobicContact CD2-CG 4.09Å; Y64-R114 HydrophobicContact CG-CB 4.24Å; Y64-R114 HydrophobicContact CG-CG 4.08Å
65E98.6Very high98.7Very high116 Ų11635.9 Ų35.954%0.54218%0.182SC..Hα-helixtrans-88.3-31.5-172.3-66.6173.817300113.6D61 R62D61-E65 VanDerWaalsContact O-CB 3.27Å; D61-E65 WeakPolarHBondContact O-CB 3.46Å; D61-E65 VanDerWaalsContact O-CG 3.23Å; D61-E65 WeakPolarHBondContact O-CG 3.09Å; D61-E65 PolarHBondContact O-N 3.41Å; R62-E65 IonicContact CZ-OE2 3.51Å; R62-E65 IonicContact NE-OE2 3.98Å; R62-E65 IonicContact NH2-OE1 3.59Å; R62-E65 IonicContact NH2-OE2 3.95Å; R62-E65 PolarHBondContact NH2-OE2 2.84Å; R62-E65 PolarHBondContact O-N 2.84Å
66D98.4Very high98.7Very high47 Ų4735.8 Ų35.825%0.25118%0.182SC..THydrogen-bonded Turntrans-96.512.9-170.7-70.9-15.4000114.1R62 R296 Q300R62-D66 VanDerWaalsContact O-CB 3.29Å; R62-D66 WeakPolarHBondContact O-CB 3.2Å; R62-D66 PolarHBondContact O-N 2.83Å; D66-R296 IonicContact OD1-NH1 2.71Å; D66-R296 IonicContact OD2-CZ 3.53Å; D66-R296 IonicContact OD2-NH1 3.54Å; D66-R296 IonicContact OD2-NH2 2.74Å; D66-R296 PolarHBondContact OD2-NH2 3.33Å; D66-Q300 PolarHBondContact O-NE2 3.06Å
67G97.9Very high98.7Very high25 Ų2536 Ų3626%0.25818%0.183SC..THydrogen-bonded Turntrans86.84.5173.600000115.7E70 L71G67-E70 VanDerWaalsContact C-OE2 3.26Å; G67-E70 WeakPolarHBondContact CA-OE2 3.49Å; G67-L71 WeakPolarHBondContact O-CD1 3.27Å; G67-L71 VanDerWaalsContact O-CG 3.31Å; G67-L71 WeakPolarHBondContact O-CG 3.29Å; G67-L71 PolarHBondContact O-N 2.84Å
68W98.8Very high98.7Very high0 Ų034.5 Ų34.50%018%0.175CC..THydrogen-bonded Turntrans-70.2-42.9-176.6-58.7101.3000112.1L63 E70 L71 G72 Y73 M284 L288 I291 R296 L299 Q300L63-W68 HydrophobicContact CB-CB 4.36Å; L63-W68 HydrophobicContact CG-CB 4.23Å; L63-W68 PolarHBondContact O-N 2.93Å; W68-E70 VanDerWaalsContact C-N 3.32Å; W68-E70 PolarHBondContact O-N 3.48Å; W68-L71 WeakPolarHBondContact O-CB 3.43Å; W68-L71 PolarHBondContact O-N 3.25Å; W68-L71 VanDerWaalsContact O-N 3.12Å; W68-G72 PolarHBondContact O-N 3.21Å; W68-Y73 HydrophobicContact CB-CD2 4.4Å; W68-Y73 AromaticContact CE3-CD2 3.94Å; W68-Y73 HydrophobicContact CE3-CD2 3.94Å; W68-Y73 HydrophobicContact CE3-CE2 4.06Å; W68-Y73 HydrophobicContact CZ3-CE2 4.42Å; W68-Y73 WeakPolarHBondContact O-CB 3.34Å; W68-Y73 PolarHBondContact O-N 3.09Å; W68-Y73 VanDerWaalsContact O-N 3.07Å; W68-M284 HydrophobicContact CD2-CE 4.17Å; W68-M284 HydrophobicContact CE3-CE 3.88Å; W68-M284 HydrophobicContact CE3-SD 3.91Å; W68-M284 HydrophobicContact CH2-SD 4.09Å; W68-M284 HydrophobicContact CZ3-CE 4.22Å; W68-M284 HydrophobicContact CZ3-SD 3.63Å; W68-L288 HydrophobicContact CZ2-CD2 3.88Å; W68-I291 HydrophobicContact CH2-CD1 4.24Å; W68-I291 HydrophobicContact CZ2-CD1 4.32Å; W68-I291 HydrophobicContact CZ2-CG2 4.35Å; W68-R296 HydrophobicContact CH2-CB 4.37Å; W68-R296 HydrophobicContact CH2-CG 3.92Å; W68-R296 HydrophobicContact CZ2-CB 4.42Å; W68-R296 HydrophobicContact CZ2-CG 3.8Å; W68-L299 HydrophobicContact CH2-CB 3.83Å; W68-L299 HydrophobicContact CH2-CD1 4.24Å; W68-L299 HydrophobicContact CZ3-CB 3.56Å; W68-Q300 HydrophobicContact CD2-CG 4.24Å; W68-Q300 HydrophobicContact CE3-CG 3.59Å; W68-Q300 HydrophobicContact CH2-CG 3.63Å; W68-Q300 HydrophobicContact CZ2-CG 4.25Å; W68-Q300 HydrophobicContact CZ3-CB 4.46Å; W68-Q300 HydrophobicContact CZ3-CG 3.24Å
69K98.5Very high98.7Very high57 Ų5732.3 Ų32.325%0.24816%0.163CC..G310 helixtrans-58.8-44.1177.5-179.9-166.7165-167.60111.6L63 Y64 L71 G72 Y73 V74 R114 L116L63-K69 WeakPolarHBondContact O-CB 3.41Å; L63-K69 PolarHBondContact O-N 3.49Å; Y64-K69 HydrophobicContact CD2-CD 4.2Å; K69-L71 PolarHBondContact O-N 3.39Å; K69-G72 PolarHBondContact O-N 3Å; K69-Y73 WeakPolarHBondContact CA-O 3.34Å; K69-V74 HydrophobicContact CG-CG1 4.3Å; K69-R114 VanDerWaalsContact CD-O 3.31Å; K69-R114 WeakPolarHBondContact CD-O 3.19Å; K69-R114 WeakPolarHBondContact CE-O 3.34Å; K69-R114 PolarHBondContact NZ-O 3.34Å; K69-L116 HydrophobicContact CB-CD2 4.08Å; K69-L116 HydrophobicContact CD-CD2 4.24Å; K69-L116 HydrophobicContact CG-CD2 3.95Å
70E98.5Very high98.7Very high124 Ų12432.4 Ų32.458%0.57916%0.164SC*.G310 helixtrans-63.3-24.9179.7-68.564.3-142.600112.1G67 W68G67-E70 VanDerWaalsContact C-OE2 3.26Å; G67-E70 WeakPolarHBondContact CA-OE2 3.49Å; W68-E70 VanDerWaalsContact C-N 3.32Å; W68-E70 PolarHBondContact O-N 3.48Å
71L98.6Very high98.7Very high31 Ų3132.4 Ų32.416%0.16216%0.164CC..G310 helixtrans-88.1-4.5175.4-66.3170.9000113.3G67 W68 K69 Y73 Q300 K302 I305G67-L71 WeakPolarHBondContact O-CD1 3.27Å; G67-L71 VanDerWaalsContact O-CG 3.31Å; G67-L71 WeakPolarHBondContact O-CG 3.29Å; G67-L71 PolarHBondContact O-N 2.84Å; W68-L71 WeakPolarHBondContact O-CB 3.43Å; W68-L71 PolarHBondContact O-N 3.25Å; W68-L71 VanDerWaalsContact O-N 3.12Å; K69-L71 PolarHBondContact O-N 3.39Å; L71-Y73 HydrophobicContact CB-CD2 4.24Å; L71-Y73 HydrophobicContact CB-CE2 4.49Å; L71-Q300 HydrophobicContact CD1-CB 3.47Å; L71-Q300 VanDerWaalsContact CD1-CB 3.47Å; L71-Q300 HydrophobicContact CD1-CG 3.53Å; L71-K302 HydrophobicContact CD2-CD 4.34Å; L71-K302 HydrophobicContact CD2-CG 3.67Å; L71-I305 HydrophobicContact CB-CD1 4Å; L71-I305 HydrophobicContact CD1-CD1 4.46Å; L71-I305 HydrophobicContact CD2-CD1 4.37Å
72G98.7Very high98.7Very high29 Ų2931.6 Ų31.630%0.29916%0.159SC..THydrogen-bonded Turntrans105.4-3.8175.400000115.1M29 W68 K69 V74M29-G72 WeakPolarHBondContact CB-O 3.33Å; W68-G72 PolarHBondContact O-N 3.21Å; K69-G72 PolarHBondContact O-N 3Å; G72-V74 PolarHBondContact O-N 2.84Å
73Y98.9Very high98.7Very high0 Ų029.3 Ų29.30%015%0.151CC..  trans-72.497.5172.4-64.5-87.9000109.2M29 L63 W68 K69 L71 L282 M284 L299 I305M29-Y73 HydrophobicContact CB-CD1 3.97Å; M29-Y73 HydrophobicContact CB-CE1 4.33Å; M29-Y73 HydrophobicContact CB-CG 4.33Å; M29-Y73 HydrophobicContact CE-CD1 4.1Å; M29-Y73 HydrophobicContact CE-CD2 3.65Å; M29-Y73 HydrophobicContact CE-CE1 3.85Å; M29-Y73 HydrophobicContact CE-CE2 3.37Å; M29-Y73 HydrophobicContact CE-CG 4.01Å; M29-Y73 VanDerWaalsContact CE-CZ 3.47Å; L63-Y73 WeakPolarHBondContact CD2-O 3.3Å; W68-Y73 HydrophobicContact CB-CD2 4.4Å; W68-Y73 AromaticContact CE3-CD2 3.94Å; W68-Y73 HydrophobicContact CE3-CD2 3.94Å; W68-Y73 HydrophobicContact CE3-CE2 4.06Å; W68-Y73 HydrophobicContact CZ3-CE2 4.42Å; W68-Y73 WeakPolarHBondContact O-CB 3.34Å; W68-Y73 PolarHBondContact O-N 3.09Å; W68-Y73 VanDerWaalsContact O-N 3.07Å; K69-Y73 WeakPolarHBondContact CA-O 3.34Å; L71-Y73 HydrophobicContact CB-CD2 4.24Å; L71-Y73 HydrophobicContact CB-CE2 4.49Å; Y73-L282 HydrophobicContact CE1-CB 4.03Å; Y73-L282 WeakPolarHBondContact CE1-O 3.13Å; Y73-M284 HydrophobicContact CD1-CE 3.58Å; Y73-M284 HydrophobicContact CD1-CG 4.31Å; Y73-M284 HydrophobicContact CD1-SD 4.14Å; Y73-M284 HydrophobicContact CE1-CE 3.98Å; Y73-M284 HydrophobicContact CE1-CG 3.89Å; Y73-M284 HydrophobicContact CE1-SD 3.9Å; Y73-M284 HydrophobicContact CG-CE 3.93Å; Y73-L299 PolarHBondContact OH-O 3Å; Y73-I305 HydrophobicContact CE2-CD1 3.96Å
74V98.9Very high98.7Very high34 Ų3430.5 Ų30.521%0.20616%0.16CC..  trans-120.2-19.2-170.8-64.50000114.1M29 K69 G72 L116 K117M29-V74 PolarHBondContact O-N 3.43Å; K69-V74 HydrophobicContact CG-CG1 4.3Å; G72-V74 PolarHBondContact O-N 2.84Å; V74-L116 CarbonylContact O-C 3.59Å; V74-L116 WeakPolarHBondContact O-CA 3.44Å; V74-K117 HydrophobicContact CG2-CD 4.34Å; V74-K117 PolarHBondContact O-N 3.08Å
75Y98.9Very high98.7Very high17 Ų1730.7 Ų30.77%0.06717%0.166CC..EExtended strand (participates in β ladder)trans-86.3134.2178.2-69.2-86.6000110.9M24 P28 M29 G30 W31 K117 M154 F283M24-Y75 HydrophobicContact CE-CE1 4.44Å; P28-Y75 HydrophobicContact CB-CD2 4.12Å; P28-Y75 HydrophobicContact CB-CE2 3.91Å; M29-Y75 WeakPolarHBondContact O-CD2 3.3Å; M29-Y75 PolarHBondContact O-N 2.59Å; G30-Y75 CarbonylContact C-O 3.56Å; G30-Y75 WeakPolarHBondContact CA-O 3.35Å; W31-Y75 PolarHBondContact N-O 3.11Å; Y75-K117 CarbonylContact C-O 3.57Å; Y75-K117 WeakPolarHBondContact CA-O 3.48Å; Y75-K117 HydrophobicContact CD1-CB 3.71Å; Y75-K117 HydrophobicContact CD1-CD 4.18Å; Y75-K117 HydrophobicContact CE1-CB 3.94Å; Y75-K117 HydrophobicContact CE1-CD 3.6Å; Y75-K117 HydrophobicContact CE1-CG 4.42Å; Y75-K117 HydrophobicContact CE2-CD 4.27Å; Y75-K117 HydrophobicContact CG-CB 4.29Å; Y75-M154 HydrophobicContact CD1-CB 3.95Å; Y75-M154 HydrophobicContact CD1-SD 4.01Å; Y75-M154 HydrophobicContact CE1-CB 3.94Å; Y75-M154 HydrophobicContact CE1-SD 4.27Å; Y75-M154 HydrophobicContact CG-SD 4.44Å; Y75-F283 HydrophobicContact CD2-CE1 4.47Å; Y75-F283 HydrophobicContact CG-CE1 4.37Å
76V98.9Very high98.5Very high0 Ų030.8 Ų30.80%017%0.17CC..EExtended strand (participates in β ladder)trans-118.6104.4168.6-177.60000106.4W31 F56 L63 M111 L116 K117 G119W31-V76 HydrophobicContact CE3-CG1 4.21Å; F56-V76 HydrophobicContact CD1-CG1 4.09Å; L63-V76 HydrophobicContact CD1-CG2 4.38Å; L63-V76 HydrophobicContact CD2-CG2 4.03Å; V76-M111 HydrophobicContact CB-CE 4.28Å; V76-M111 HydrophobicContact CB-SD 4.09Å; V76-M111 HydrophobicContact CG1-CE 3.91Å; V76-M111 HydrophobicContact CG1-SD 4.3Å; V76-M111 HydrophobicContact CG2-SD 4.07Å; V76-L116 HydrophobicContact CG2-CD1 4.09Å; V76-K117 PolarHBondContact N-O 3.03Å; V76-G119 PolarHBondContact O-N 2.85Å
77N98.9Very high98.5Very high5 Ų531 Ų313%0.02717%0.167CC..EExtended strand (participates in β ladder)trans-106.2119.7-167.7-64.2-15.3000111.1W31 L32 A33 G119 F283W31-N77 WeakPolarHBondContact O-CB 3.34Å; W31-N77 PolarHBondContact O-N 3.44Å; L32-N77 HydrophobicContact CB-CB 4.09Å; L32-N77 HydrophobicContact CD1-CB 4.04Å; L32-N77 HydrophobicContact CG-CB 3.95Å; A33-N77 PolarHBondContact N-O 2.94Å; N77-G119 VanDerWaalsContact OD1-CA 3.24Å; N77-G119 WeakPolarHBondContact OD1-CA 3.23Å; N77-G119 PolarHBondContact OD1-N 3.05Å; N77-F283 VanDerWaalsContact ND2-CE1 3.28Å; N77-F283 WeakPolarHBondContact ND2-CE1 3.43Å
78I98.9Very high98.5Very high1 Ų131.9 Ų31.91%0.00517%0.166CC..  trans-72.2131.1165.6-54.9172.8000107.7F56 W82 F100 I104 L107 L118 G119 I120 Y121F56-I78 HydrophobicContact CD1-CG1 3.89Å; F56-I78 HydrophobicContact CD2-CG1 4.27Å; F56-I78 HydrophobicContact CE1-CB 4.02Å; F56-I78 HydrophobicContact CE1-CG1 3.58Å; F56-I78 HydrophobicContact CE1-CG2 4.42Å; F56-I78 HydrophobicContact CE2-CG1 4.05Å; F56-I78 HydrophobicContact CE2-CG2 4.34Å; F56-I78 HydrophobicContact CG-CG1 4.23Å; F56-I78 HydrophobicContact CZ-CB 3.97Å; F56-I78 HydrophobicContact CZ-CG1 3.7Å; F56-I78 HydrophobicContact CZ-CG2 3.86Å; I78-W82 HydrophobicContact CG2-CB 3.42Å; I78-W82 VanDerWaalsContact CG2-CB 3.42Å; I78-W82 HydrophobicContact CG2-CG 3.7Å; I78-F100 HydrophobicContact CD1-CE1 4.45Å; I78-I104 HydrophobicContact CD1-CD1 4.08Å; I78-L107 HydrophobicContact CD1-CD2 3.94Å; I78-L118 HydrophobicContact CD1-CD1 4.09Å; I78-L118 HydrophobicContact CD1-CD2 4.46Å; I78-L118 HydrophobicContact CG1-CD1 4.21Å; I78-G119 PolarHBondContact N-O 3.35Å; I78-I120 HydrophobicContact CB-CG1 4.45Å; I78-I120 CarbonylContact O-C 3.54Å; I78-Y121 WeakPolarHBondContact O-CB 3.49Å; I78-Y121 PolarHBondContact O-N 3.03Å
79D98.9Very high98.5Very high4 Ų441.1 Ų41.12%0.02121%0.207CC..  trans-102.5-156.5171.5-147-93.7000110.7L32 W34 W82 Y121 K156L32-D79 HydrophobicContact CD2-CB 4.06Å; L32-D79 WeakPolarHBondContact CD2-OD2 3.3Å; W34-D79 HydrophobicContact CB-CB 3.83Å; W34-D79 HydrophobicContact CE3-CB 4.31Å; D79-W82 VanDerWaalsContact O-CD1 3.29Å; D79-Y121 VanDerWaalsContact C-CB 3.45Å; D79-K156 VanDerWaalsContact CG-NZ 3.31Å; D79-K156 IonicContact OD1-NZ 3.89Å; D79-K156 PolarHBondContact OD1-NZ 2.87Å; D79-K156 VanDerWaalsContact OD1-NZ 3.16Å; D79-K156 VanDerWaalsContact OD2-CD 3.32Å; D79-K156 WeakPolarHBondContact OD2-CD 3.38Å; D79-K156 WeakPolarHBondContact OD2-CE 3.31Å; D79-K156 IonicContact OD2-NZ 3.44Å; D79-K156 PolarHBondContact OD2-NZ 3.03Å
80D98.8Very high98.4Very high2 Ų243.5 Ų43.51%0.01122%0.222CC..THydrogen-bonded Turntrans-56.9168.6-179.3-152.9-8.9000113.8W34 W82 Y121 T128 C129 G130W34-D80 HydrophobicContact CE3-CB 4.31Å; W34-D80 HydrophobicContact CH2-CB 4.31Å; W34-D80 HydrophobicContact CZ3-CB 3.76Å; D80-W82 VanDerWaalsContact C-N 3.34Å; D80-W82 PolarHBondContact O-N 3.39Å; D80-Y121 HydrophobicContact CB-CD1 3.97Å; D80-Y121 HydrophobicContact CB-CE1 3.62Å; D80-Y121 HydrophobicContact CB-CE2 4.47Å; D80-Y121 VanDerWaalsContact CG-CE1 3.43Å; D80-T128 VanDerWaalsContact CG-OG1 3.25Å; D80-T128 WeakPolarHBondContact OD1-CB 3.25Å; D80-T128 PolarHBondContact OD1-OG1 2.98Å; D80-T128 WeakPolarHBondContact OD2-CB 3.48Å; D80-T128 PolarHBondContact OD2-OG1 3.03Å; D80-T128 VanDerWaalsContact OD2-OG1 3.06Å; D80-C129 PolarHBondContact OD2-N 3.27Å; D80-G130 WeakPolarHBondContact OD2-CA 3.28Å; D80-G130 PolarHBondContact OD2-N 3.08Å
81C98.8Very high98.4Very high0 Ų038.1 Ų38.10%020%0.2CC..THydrogen-bonded Turntrans71.715.7173.6-46.50000116.3C39 I41 R99 Y132C39-C81 HydrophobicContact CB-CB 4.03Å; C39-C81 WeakPolarHBondContact CB-SG 3.48Å; C39-C81 WeakPolarHBondContact SG-CB 3.45Å; C39-C81 CovalentContact SG-SG 2.02Å; C39-C81 PolarHBondContact SG-SG 2.92Å; I41-C81 HydrophobicContact CG2-CB 4.21Å; C81-R99 VanDerWaalsContact O-CZ 3.23Å; C81-R99 PolarHBondContact O-NH1 3.25Å; C81-R99 PolarHBondContact O-NH2 2.77Å; C81-Y132 VanDerWaalsContact CA-CE2 3.44Å; C81-Y132 HydrophobicContact CB-CD2 4.22Å; C81-Y132 HydrophobicContact CB-CE2 3.55Å; C81-Y132 VanDerWaalsContact SG-CE2 3.52Å
82W98.9Very high98.4Very high6 Ų639.4 Ų39.42%0.02320%0.202CC..  trans-83.8-29.3175.571.8-90.1000114.3I78 D79 D80 L93 A95 D96 F100 I104 I120 Y121 F147 W150I78-W82 HydrophobicContact CG2-CB 3.42Å; I78-W82 VanDerWaalsContact CG2-CB 3.42Å; I78-W82 HydrophobicContact CG2-CG 3.7Å; D79-W82 VanDerWaalsContact O-CD1 3.29Å; D80-W82 VanDerWaalsContact C-N 3.34Å; D80-W82 PolarHBondContact O-N 3.39Å; W82-L93 HydrophobicContact CH2-CB 3.99Å; W82-L93 HydrophobicContact CZ2-CB 4.5Å; W82-L93 HydrophobicContact CZ2-CD1 4.23Å; W82-A95 HydrophobicContact CE3-CB 3.86Å; W82-A95 HydrophobicContact CZ3-CB 3.86Å; W82-D96 PolarHBondContact O-N 2.8Å; W82-F100 HydrophobicContact CB-CE2 4.01Å; W82-F100 HydrophobicContact CB-CZ 3.93Å; W82-I104 HydrophobicContact CE3-CD1 3.83Å; W82-I104 HydrophobicContact CE3-CG1 4.08Å; W82-I104 HydrophobicContact CZ3-CD1 4.07Å; W82-I104 HydrophobicContact CZ3-CG1 3.78Å; W82-I120 HydrophobicContact CD2-CD1 4.16Å; W82-I120 HydrophobicContact CD2-CG1 4.34Å; W82-I120 HydrophobicContact CE3-CD1 4.32Å; W82-I120 HydrophobicContact CH2-CD1 3.87Å; W82-I120 HydrophobicContact CZ2-CD1 3.64Å; W82-I120 HydrophobicContact CZ2-CG1 4.12Å; W82-I120 HydrophobicContact CZ3-CD1 4.17Å; W82-Y121 PolarHBondContact NE1-O 2.99Å; W82-F147 HydrophobicContact CZ2-CE1 4.34Å; W82-W150 AromaticContact CH2-CH2 3.64Å; W82-W150 HydrophobicContact CH2-CH2 3.64Å; W82-W150 AromaticContact CH2-CZ3 3.42Å; W82-W150 HydrophobicContact CH2-CZ3 3.42Å; W82-W150 VanDerWaalsContact CH2-CZ3 3.42Å; W82-W150 HydrophobicContact CZ2-CZ3 4.38Å; W82-W150 AromaticContact CZ3-CH2 3.86Å; W82-W150 HydrophobicContact CZ3-CH2 3.86Å; W82-W150 AromaticContact CZ3-CZ3 3.79Å; W82-W150 HydrophobicContact CZ3-CZ3 3.79Å
83A98.6Very high98.4Very high4 Ų438.3 Ų38.33%0.03319%0.19CC..BIsolated β-bridgetrans-76.4158.2-169.300000112.4Q94 Y132A83-Q94 CarbonylContact C-O 3.56Å; A83-Q94 WeakPolarHBondContact CA-O 3.39Å; A83-Y132 HydrophobicContact CB-CD1 4.26Å; A83-Y132 WeakPolarHBondContact O-CD1 3.47Å; A83-Y132 WeakPolarHBondContact O-CE1 3.48Å
84S98.4Very high98.3Very high25 Ų2542 Ų4218%0.17521%0.207CC..  trans-65.5153.3157.8178.40000109.8D86 Q94 P133S84-D86 PolarHBondContact O-N 3.25Å; S84-D86 PolarHBondContact OG-N 3.26Å; S84-D86 PolarHBondContact OG-O 3.17Å; S84-Q94 PolarHBondContact N-O 3.12Å; S84-P133 VanDerWaalsContact O-CD 3.31Å; S84-P133 WeakPolarHBondContact O-CD 3.47Å; S84-P133 WeakPolarHBondContact O-CG 3.33Å
85M97.9Very high98.3Very high117 Ų11741 Ų4158%0.57620%0.203SC*.SBendtrans-67.4-22.1172.8-68.4-59.5-66.500112.8Y132 P133M85-Y132 HydrophobicContact SD-CD1 3.83Å; M85-Y132 HydrophobicContact SD-CE1 3.98Å; M85-Y132 HydrophobicContact SD-CG 4.34Å; M85-P133 WeakPolarHBondContact O-CG 3.41Å
86D96.3Very high98.3Very high118 Ų11841.7 Ų41.763%0.63121%0.207SC*.SBendtrans-113.1133.1179.9-64.1-55.1000111.3S84 Q94S84-D86 PolarHBondContact O-N 3.25Å; S84-D86 PolarHBondContact OG-N 3.26Å; S84-D86 PolarHBondContact OG-O 3.17Å; D86-Q94 PolarHBondContact O-NE2 3.35Å
87R98.4Very high98.3Very high51 Ų5145.8 Ų45.819%0.19223%0.234CC..  trans-67.9156.9162.2-72170.3173.2-83.7-2.6109.7G91 R92 L93 P133 G134 D143R87-G91 WeakPolarHBondContact CD-O 3.44Å; R87-G91 PolarHBondContact NH1-O 2.82Å; R87-R92 CarbonylContact C-O 3.39Å; R87-R92 VanDerWaalsContact CA-O 3.23Å; R87-R92 WeakPolarHBondContact CA-O 3.43Å; R87-R92 VanDerWaalsContact CB-O 3.31Å; R87-R92 WeakPolarHBondContact CB-O 3.47Å; R87-L93 HydrophobicContact CG-CD2 4.29Å; R87-P133 HydrophobicContact CG-CB 4.4Å; R87-G134 PolarHBondContact NH2-O 3.19Å; R87-D143 IonicContact CZ-OD1 3.26Å; R87-D143 IonicContact CZ-OD2 3.92Å; R87-D143 IonicContact NH1-OD1 3.72Å; R87-D143 PolarHBondContact NH1-OD1 2.96Å; R87-D143 IonicContact NH1-OD2 2.81Å; R87-D143 IonicContact NH2-OD1 3.72Å; R87-D143 PolarHBondContact NH2-OD1 2.91Å; R87-D143 IonicContact NH2-OD2 2.87Å; R87-D143 PolarHBondContact NH2-OD2 2.82Å
88D97.8Very high98.2Very high45 Ų4552.4 Ų52.424%0.24127%0.269CS..  trans-69.6176.617772.415.6000111.9D90 G91 R92 Q94D88-D90 PolarHBondContact O-N 3.33Å; D88-D90 VanDerWaalsContact O-N 3.12Å; D88-D90 VanDerWaalsContact OD1-C 3.31Å; D88-D90 WeakPolarHBondContact OD1-CA 3.22Å; D88-D90 PolarHBondContact OD1-N 3.14Å; D88-G91 WeakPolarHBondContact O-CA 3.39Å; D88-G91 PolarHBondContact O-N 3.38Å; D88-G91 PolarHBondContact OD1-N 2.68Å; D88-R92 PolarHBondContact N-O 3.46Å; D88-R92 PolarHBondContact OD1-N 3.14Å; D88-R92 WeakPolarHBondContact OD2-CB 3.17Å; D88-Q94 HydrophobicContact CB-CG 3.91Å; D88-Q94 VanDerWaalsContact N-NE2 3.16Å
89K97.4Very high98.2Very high194 Ų19453 Ų5384%0.84327%0.272SS*.THydrogen-bonded Turntrans-58.5-23.4178.965.2174.3-173.71710114
90D96.9Very high98.2Very high106 Ų10653 Ų5357%0.56727%0.271SS*.THydrogen-bonded Turntrans-960.2-179.5-58.8-47.6000110.8D88 I142D88-D90 PolarHBondContact O-N 3.33Å; D88-D90 VanDerWaalsContact O-N 3.12Å; D88-D90 VanDerWaalsContact OD1-C 3.31Å; D88-D90 WeakPolarHBondContact OD1-CA 3.22Å; D88-D90 PolarHBondContact OD1-N 3.14Å; D90-I142 WeakPolarHBondContact O-CD1 3.42Å
91G97.8Very high98.2Very high11 Ų1157.6 Ų57.611%0.11330%0.301CS..SBendtrans85.810.2177.200000114.8R87 D88R87-G91 WeakPolarHBondContact CD-O 3.44Å; R87-G91 PolarHBondContact NH1-O 2.82Å; D88-G91 WeakPolarHBondContact O-CA 3.39Å; D88-G91 PolarHBondContact O-N 3.38Å; D88-G91 PolarHBondContact OD1-N 2.68Å
92R98.4Very high98.2Very high58 Ų5858.8 Ų58.822%0.21931%0.314CS..  trans-80.6149.5178.9-56.4176.563.3106.9-13.5111.2R87 D88 I142 T146 D149R87-R92 CarbonylContact C-O 3.39Å; R87-R92 VanDerWaalsContact CA-O 3.23Å; R87-R92 WeakPolarHBondContact CA-O 3.43Å; R87-R92 VanDerWaalsContact CB-O 3.31Å; R87-R92 WeakPolarHBondContact CB-O 3.47Å; D88-R92 PolarHBondContact N-O 3.46Å; D88-R92 PolarHBondContact OD1-N 3.14Å; D88-R92 WeakPolarHBondContact OD2-CB 3.17Å; R92-I142 HydrophobicContact CG-CD1 3.66Å; R92-I142 HydrophobicContact CG-CG1 3.87Å; R92-T146 PolarHBondContact NE-OG1 3.35Å; R92-T146 VanDerWaalsContact NH2-CA 3.34Å; R92-T146 PolarHBondContact NH2-OG1 3.25Å; R92-D149 IonicContact CZ-OD2 3.87Å; R92-D149 IonicContact NH1-OD2 2.72Å; R92-D149 PolarHBondContact NH1-OD2 3.03Å; R92-D149 VanDerWaalsContact NH1-OD2 3.08Å; R92-D149 IonicContact NH2-OD2 3.35Å; R92-D149 PolarHBondContact NH2-OD2 2.91Å
93L98.7Very high98.1Very high7 Ų759.7 Ų59.74%0.03732%0.324CS..  trans-61.5148.1169-70.6169.2000110.5W82 R87 P133 D143 F147 W150W82-L93 HydrophobicContact CH2-CB 3.99Å; W82-L93 HydrophobicContact CZ2-CB 4.5Å; W82-L93 HydrophobicContact CZ2-CD1 4.23Å; R87-L93 HydrophobicContact CG-CD2 4.29Å; L93-P133 HydrophobicContact CD2-CB 4.1Å; L93-D143 HydrophobicContact CD1-CB 4.4Å; L93-F147 HydrophobicContact CD1-CE1 3.94Å; L93-F147 HydrophobicContact CD1-CZ 3.69Å; L93-W150 HydrophobicContact CB-CH2 4.24Å; L93-W150 VanDerWaalsContact O-CH2 3.28Å; L93-W150 WeakPolarHBondContact O-CH2 3.45Å; L93-W150 VanDerWaalsContact O-CZ2 3.32Å; L93-W150 WeakPolarHBondContact O-CZ2 3.37Å
94Q98.4Very high98.2Very high77 Ų7759.6 Ų59.636%0.3632%0.324SS..  trans-129.8144.7174.8-62179.495.800108.6A83 S84 D86 D88A83-Q94 CarbonylContact C-O 3.56Å; A83-Q94 WeakPolarHBondContact CA-O 3.39Å; S84-Q94 PolarHBondContact N-O 3.12Å; D86-Q94 PolarHBondContact O-NE2 3.35Å; D88-Q94 HydrophobicContact CB-CG 3.91Å; D88-Q94 VanDerWaalsContact N-NE2 3.16Å
95A98.7Very high98.2Very high14 Ų1460.3 Ų60.312%0.11633%0.325CS..BIsolated β-bridgetrans-71.9153.2166.700000109.9W82 P97 F100 I104W82-A95 HydrophobicContact CE3-CB 3.86Å; W82-A95 HydrophobicContact CZ3-CB 3.86Å; A95-P97 WeakPolarHBondContact O-CD 3.47Å; A95-F100 HydrophobicContact CB-CB 3.64Å; A95-F100 HydrophobicContact CB-CD2 4.34Å; A95-F100 HydrophobicContact CB-CG 4.07Å; A95-I104 HydrophobicContact CB-CD1 3.79Å; A95-I104 HydrophobicContact CB-CG1 3.94Å
96D98.8Very high98.2Very high30 Ų3061.1 Ų61.116%0.1633%0.326CS..  trans-58.7120.4172.2-179.8-53.2000109.8W82 N98 R99 F100W82-D96 PolarHBondContact O-N 2.8Å; D96-N98 VanDerWaalsContact C-N 3.25Å; D96-N98 PolarHBondContact O-N 2.9Å; D96-N98 WeakPolarHBondContact OD1-CB 3.35Å; D96-N98 PolarHBondContact OD1-N 3.46Å; D96-R99 HydrophobicContact CB-CB 4.27Å; D96-R99 PolarHBondContact O-N 3.04Å; D96-R99 PolarHBondContact OD1-N 3.36Å; D96-R99 VanDerWaalsContact OD1-N 3.08Å; D96-R99 IonicContact OD1-NE 2.63Å; D96-R99 IonicContact OD2-CZ 3.03Å; D96-R99 IonicContact OD2-NE 3.81Å; D96-R99 PolarHBondContact OD2-NE 3.4Å; D96-R99 IonicContact OD2-NH2 2.9Å; D96-R99 PolarHBondContact OD2-NH2 2.83Å; D96-F100 HydrophobicContact CB-CD2 4.4Å; D96-F100 WeakPolarHBondContact O-CA 3.16Å; D96-F100 WeakPolarHBondContact O-CB 3.27Å; D96-F100 PolarHBondContact O-N 3.39Å
97P98Very high98.3Very high86 Ų8655.6 Ų55.656%0.55830%0.296SS*.THydrogen-bonded Turntrans-70.4-20.2-170.828.1-35.8000113.6A95 P101A95-P97 WeakPolarHBondContact O-CD 3.47Å; P97-P101 WeakPolarHBondContact O-CA 3.2Å
98N98.2Very high98.4Very high144 Ų14453.1 Ų53.177%0.7729%0.287SS*.THydrogen-bonded Turntrans-84.1-38.2178.1-63.5-42.6000111.1D96D96-N98 VanDerWaalsContact C-N 3.25Å; D96-N98 PolarHBondContact O-N 2.9Å; D96-N98 WeakPolarHBondContact OD1-CB 3.35Å; D96-N98 PolarHBondContact OD1-N 3.46Å
99R98.7Very high98.4Very high15 Ų1557.1 Ų57.16%0.05730%0.298CS..THydrogen-bonded Turntrans-89.8-26.9-176.9-61-178.7-68.6116.8-7112.9I51 S52 E53 C81 D96 P101I51-R99 WeakPolarHBondContact O-CD 3.31Å; I51-R99 PolarHBondContact O-NH1 3.49Å; S52-R99 CarbonylContact C-O 3.53Å; S52-R99 WeakPolarHBondContact CA-O 3.38Å; S52-R99 WeakPolarHBondContact CB-O 3.42Å; E53-R99 PolarHBondContact N-O 2.95Å; C81-R99 VanDerWaalsContact O-CZ 3.23Å; C81-R99 PolarHBondContact O-NH1 3.25Å; C81-R99 PolarHBondContact O-NH2 2.77Å; D96-R99 HydrophobicContact CB-CB 4.27Å; D96-R99 PolarHBondContact O-N 3.04Å; D96-R99 PolarHBondContact OD1-N 3.36Å; D96-R99 VanDerWaalsContact OD1-N 3.08Å; D96-R99 IonicContact OD1-NE 2.63Å; D96-R99 IonicContact OD2-CZ 3.03Å; D96-R99 IonicContact OD2-NE 3.81Å; D96-R99 PolarHBondContact OD2-NE 3.4Å; D96-R99 IonicContact OD2-NH2 2.9Å; D96-R99 PolarHBondContact OD2-NH2 2.83Å; R99-P101 VanDerWaalsContact C-CD 3.43Å
100F98.8Very high98.5Very high4 Ų450.6 Ų50.62%0.01827%0.269CS..  trans-126.861.6177.7-60.8-96.6000111.6I51 E53 F56 I78 W82 A95 D96 G102 G103 I104 L107I51-F100 HydrophobicContact CG2-CE2 4.33Å; I51-F100 HydrophobicContact CG2-CZ 4.03Å; E53-F100 HydrophobicContact CB-CB 4.49Å; E53-F100 HydrophobicContact CB-CD1 3.89Å; E53-F100 HydrophobicContact CB-CG 4.42Å; F56-F100 AromaticContact CD2-CE1 3.8Å; F56-F100 HydrophobicContact CD2-CE1 3.8Å; F56-F100 HydrophobicContact CD2-CZ 4.22Å; F56-F100 AromaticContact CE2-CE1 3.79Å; F56-F100 HydrophobicContact CE2-CE1 3.79Å; F56-F100 AromaticContact CE2-CZ 3.74Å; F56-F100 HydrophobicContact CE2-CZ 3.74Å; I78-F100 HydrophobicContact CD1-CE1 4.45Å; W82-F100 HydrophobicContact CB-CE2 4.01Å; W82-F100 HydrophobicContact CB-CZ 3.93Å; A95-F100 HydrophobicContact CB-CB 3.64Å; A95-F100 HydrophobicContact CB-CD2 4.34Å; A95-F100 HydrophobicContact CB-CG 4.07Å; D96-F100 HydrophobicContact CB-CD2 4.4Å; D96-F100 WeakPolarHBondContact O-CA 3.16Å; D96-F100 WeakPolarHBondContact O-CB 3.27Å; D96-F100 PolarHBondContact O-N 3.39Å; F100-G102 PolarHBondContact O-N 2.86Å; F100-G103 PolarHBondContact O-N 3.08Å; F100-I104 HydrophobicContact CD1-CD1 4.2Å; F100-L107 HydrophobicContact CD1-CD2 4.27Å; F100-L107 HydrophobicContact CE1-CD2 4.22Å
101P98.3Very high98.6Very high97 Ų9745.5 Ų45.563%0.6324%0.242SC*.THydrogen-bonded Turntrans-63.6-24.4-174.927.9-36.3000113.4P97 R99P97-P101 WeakPolarHBondContact O-CA 3.2Å; R99-P101 VanDerWaalsContact C-CD 3.43Å
102G98.1Very high98.6Very high26 Ų2647.5 Ų47.527%0.26825%0.248SC..THydrogen-bonded Turntrans-78.8-14.6173.400000115.2E53 F100 K106E53-G102 WeakPolarHBondContact OE1-CA 3.26Å; E53-G102 PolarHBondContact OE2-N 3.47Å; F100-G102 PolarHBondContact O-N 2.86Å; G102-K106 WeakPolarHBondContact O-CB 3.34Å
103G98.4Very high98.6Very high24 Ų2451.2 Ų51.225%0.24727%0.272CS..Hα-helixtrans70.3163.8-173.200000114F100 N105 K106 L107F100-G103 PolarHBondContact O-N 3.08Å; G103-N105 PolarHBondContact O-N 3.12Å; G103-K106 PolarHBondContact O-N 2.97Å; G103-L107 PolarHBondContact O-N 2.78Å
104I98.9Very high98.6Very high3 Ų353.4 Ų53.42%0.01528%0.28CS..Hα-helixtrans-64.6-39.2-172.8-57.2-51.9000113I78 W82 A95 F100 K106 L107 A108 L118 I120 W150 V152I78-I104 HydrophobicContact CD1-CD1 4.08Å; W82-I104 HydrophobicContact CE3-CD1 3.83Å; W82-I104 HydrophobicContact CE3-CG1 4.08Å; W82-I104 HydrophobicContact CZ3-CD1 4.07Å; W82-I104 HydrophobicContact CZ3-CG1 3.78Å; A95-I104 HydrophobicContact CB-CD1 3.79Å; A95-I104 HydrophobicContact CB-CG1 3.94Å; F100-I104 HydrophobicContact CD1-CD1 4.2Å; I104-K106 VanDerWaalsContact C-N 3.3Å; I104-K106 PolarHBondContact O-N 2.73Å; I104-L107 PolarHBondContact O-N 2.83Å; I104-L107 VanDerWaalsContact O-N 3.17Å; I104-A108 PolarHBondContact O-N 2.93Å; I104-L118 HydrophobicContact CG2-CD2 3.82Å; I104-I120 HydrophobicContact CD1-CD1 4.48Å; I104-I120 HydrophobicContact CG1-CD1 4.18Å; I104-I120 HydrophobicContact CG2-CD1 3.98Å; I104-W150 HydrophobicContact CB-CB 4.37Å; I104-W150 HydrophobicContact CB-CD2 3.75Å; I104-W150 HydrophobicContact CB-CE3 3.6Å; I104-W150 HydrophobicContact CB-CG 4.12Å; I104-W150 HydrophobicContact CB-CZ3 4.11Å; I104-W150 HydrophobicContact CG1-CD2 4.3Å; I104-W150 HydrophobicContact CG1-CE3 3.82Å; I104-W150 HydrophobicContact CG1-CH2 4.23Å; I104-W150 HydrophobicContact CG1-CZ3 3.78Å; I104-W150 HydrophobicContact CG2-CB 4.05Å; I104-W150 HydrophobicContact CG2-CD2 4.08Å; I104-W150 HydrophobicContact CG2-CE3 3.68Å; I104-W150 HydrophobicContact CG2-CG 4.28Å; I104-W150 HydrophobicContact CG2-CZ3 4.41Å; I104-V152 HydrophobicContact CG2-CG2 4.24Å
105N98.6Very high98.6Very high40 Ų4051.7 Ų51.721%0.21428%0.283CS..Hα-helixtrans-61.5-38.8-179.3179.5-112.9000112.6G103 A108 R109 W150 E151G103-N105 PolarHBondContact O-N 3.12Å; N105-A108 PolarHBondContact O-N 2.74Å; N105-R109 WeakPolarHBondContact O-CG 3.32Å; N105-R109 PolarHBondContact O-N 2.94Å; N105-W150 WeakPolarHBondContact CA-O 3.08Å; N105-W150 HydrophobicContact CB-CB 4.36Å; N105-W150 HydrophobicContact CB-CG 4.44Å; N105-W150 PolarHBondContact ND2-O 3.01Å; N105-E151 PolarHBondContact ND2-OE1 3.5Å
106K98.8Very high98.6Very high134 Ų13451.2 Ų51.258%0.58328%0.279SS*.Hα-helixtrans-67.5-40.7176.9-170.4-175.5176.6-1680111G102 G103 I104 R109 Y110G102-K106 WeakPolarHBondContact O-CB 3.34Å; G103-K106 PolarHBondContact O-N 2.97Å; I104-K106 VanDerWaalsContact C-N 3.3Å; I104-K106 PolarHBondContact O-N 2.73Å; K106-R109 PolarHBondContact O-N 2.84Å; K106-Y110 PolarHBondContact O-N 3.32Å
107L98.9Very high98.6Very high1 Ų153.3 Ų53.31%0.00529%0.286CS..Hα-helixtrans-63.1-40.7174.5-175.858.2000111.7E53 F56 I57 I78 F100 G103 I104 R109 Y110 M111 L118E53-L107 HydrophobicContact CG-CD1 4.23Å; F56-L107 HydrophobicContact CB-CD1 4.13Å; F56-L107 HydrophobicContact CB-CD2 4.05Å; F56-L107 HydrophobicContact CD2-CD2 4.33Å; F56-L107 HydrophobicContact CG-CD2 4.35Å; I57-L107 HydrophobicContact CG1-CD1 3.97Å; I78-L107 HydrophobicContact CD1-CD2 3.94Å; F100-L107 HydrophobicContact CD1-CD2 4.27Å; F100-L107 HydrophobicContact CE1-CD2 4.22Å; G103-L107 PolarHBondContact O-N 2.78Å; I104-L107 PolarHBondContact O-N 2.83Å; I104-L107 VanDerWaalsContact O-N 3.17Å; L107-R109 PolarHBondContact O-N 2.87Å; L107-Y110 WeakPolarHBondContact O-CB 3.47Å; L107-Y110 PolarHBondContact O-N 3.29Å; L107-M111 HydrophobicContact CD1-CE 3.49Å; L107-M111 VanDerWaalsContact CD1-CE 3.49Å; L107-M111 HydrophobicContact CG-CE 3.95Å; L107-M111 WeakPolarHBondContact O-CG 3.36Å; L107-M111 PolarHBondContact O-N 2.89Å; L107-M111 VanDerWaalsContact O-N 3.11Å; L107-L118 HydrophobicContact CD2-CD1 4.4Å; L107-L118 HydrophobicContact CG-CD1 4.27Å
108A98.9Very high98.7Very high0 Ų049.2 Ų49.20%026%0.26CS..Hα-helixtrans-59.6-47.8175.400000111.3I104 N105 Y110 M111 H112 L118 W150 E151I104-A108 PolarHBondContact O-N 2.93Å; N105-A108 PolarHBondContact O-N 2.74Å; A108-Y110 VanDerWaalsContact C-N 3.28Å; A108-Y110 PolarHBondContact O-N 3.27Å; A108-M111 WeakPolarHBondContact O-CA 3.44Å; A108-M111 WeakPolarHBondContact O-CB 3.32Å; A108-M111 PolarHBondContact O-N 3.22Å; A108-H112 PolarHBondContact O-CD2 3.3Å; A108-H112 VanDerWaalsContact O-CG 3.22Å; A108-H112 PolarHBondContact O-N 3.5Å; A108-H112 PolarHBondContact O-ND1 3.1Å; A108-L118 HydrophobicContact CB-CB 4.25Å; A108-L118 HydrophobicContact CB-CD2 3.68Å; A108-W150 VanDerWaalsContact CB-O 3.27Å; A108-W150 WeakPolarHBondContact CB-O 3.36Å; A108-E151 HydrophobicContact CB-CB 4.45Å
109R98.8Very high98.7Very high129 Ų12942.4 Ų42.449%0.48722%0.224SC..Hα-helixtrans-60.4-37.6175.7-71.1-179.8179.5171.66.1112.6N105 K106 L107 M111 H112 D113 E151N105-R109 WeakPolarHBondContact O-CG 3.32Å; N105-R109 PolarHBondContact O-N 2.94Å; K106-R109 PolarHBondContact O-N 2.84Å; L107-R109 PolarHBondContact O-N 2.87Å; R109-M111 VanDerWaalsContact C-N 3.29Å; R109-M111 PolarHBondContact O-N 3.26Å; R109-H112 PolarHBondContact O-N 2.87Å; R109-D113 WeakPolarHBondContact O-CB 3.31Å; R109-D113 VanDerWaalsContact O-CG 3.28Å; R109-D113 PolarHBondContact O-N 3.2Å; R109-E151 IonicContact CZ-OE1 3.15Å; R109-E151 IonicContact NE-OE1 2.9Å; R109-E151 PolarHBondContact NE-OE1 3.25Å; R109-E151 VanDerWaalsContact NE-OE1 3.11Å; R109-E151 IonicContact NH2-OE1 3.13Å; R109-E151 PolarHBondContact NH2-OE1 3.19Å
110Y98.9Very high98.7Very high56 Ų5641.8 Ų41.822%0.2222%0.221CC..Hα-helixtrans-59.8-39.8174-169-90.1000112.4I57 A60 D61 K106 L107 A108 R114I57-Y110 HydrophobicContact CB-CE1 4.11Å; I57-Y110 HydrophobicContact CG1-CD1 3.98Å; I57-Y110 HydrophobicContact CG1-CE1 3.9Å; I57-Y110 HydrophobicContact CG1-CG 4.33Å; I57-Y110 HydrophobicContact CG2-CE1 3.81Å; I57-Y110 HydrophobicContact CG2-CE2 4.46Å; I57-Y110 WeakPolarHBondContact CG2-OH 3.47Å; A60-Y110 HydrophobicContact CB-CD1 4.39Å; A60-Y110 HydrophobicContact CB-CE1 4.24Å; D61-Y110 VanDerWaalsContact CG-OH 3.31Å; D61-Y110 PolarHBondContact OD1-OH 2.98Å; D61-Y110 PolarHBondContact OD2-OH 2.78Å; K106-Y110 PolarHBondContact O-N 3.32Å; L107-Y110 WeakPolarHBondContact O-CB 3.47Å; L107-Y110 PolarHBondContact O-N 3.29Å; A108-Y110 VanDerWaalsContact C-N 3.28Å; A108-Y110 PolarHBondContact O-N 3.27Å; Y110-R114 VanDerWaalsContact CZ-NH1 3.33Å; Y110-R114 PolarHBondContact O-NH1 2.84Å; Y110-R114 VanDerWaalsContact OH-CZ 3.29Å; Y110-R114 PolarHBondContact OH-NH2 2.79Å
111M98.8Very high98.7Very high0 Ų041.7 Ų41.70%022%0.221CC..Hα-helixtrans-65.5-47.5173.2-56.5-49166.700111F56 A60 V76 L107 A108 R109 D113 R114 G115 L116 L118F56-M111 HydrophobicContact CB-CE 3.92Å; A60-M111 HydrophobicContact CB-CE 3.92Å; A60-M111 HydrophobicContact CB-SD 3.35Å; A60-M111 WeakPolarHBondContact CB-SD 3.46Å; V76-M111 HydrophobicContact CB-CE 4.28Å; V76-M111 HydrophobicContact CB-SD 4.09Å; V76-M111 HydrophobicContact CG1-CE 3.91Å; V76-M111 HydrophobicContact CG1-SD 4.3Å; V76-M111 HydrophobicContact CG2-SD 4.07Å; L107-M111 HydrophobicContact CD1-CE 3.49Å; L107-M111 VanDerWaalsContact CD1-CE 3.49Å; L107-M111 HydrophobicContact CG-CE 3.95Å; L107-M111 WeakPolarHBondContact O-CG 3.36Å; L107-M111 PolarHBondContact O-N 2.89Å; L107-M111 VanDerWaalsContact O-N 3.11Å; A108-M111 WeakPolarHBondContact O-CA 3.44Å; A108-M111 WeakPolarHBondContact O-CB 3.32Å; A108-M111 PolarHBondContact O-N 3.22Å; R109-M111 VanDerWaalsContact C-N 3.29Å; R109-M111 PolarHBondContact O-N 3.26Å; M111-D113 PolarHBondContact O-N 3.15Å; M111-R114 CarbonylContact O-C 3.53Å; M111-R114 PolarHBondContact O-N 2.94Å; M111-G115 PolarHBondContact O-N 2.79Å; M111-L116 HydrophobicContact CB-CB 4.07Å; M111-L116 WeakPolarHBondContact O-CA 3.37Å; M111-L116 WeakPolarHBondContact O-CB 3.39Å; M111-L116 PolarHBondContact O-N 2.79Å; M111-L118 HydrophobicContact CB-CB 4.45Å; M111-L118 HydrophobicContact CE-CD1 4.07Å; M111-L118 HydrophobicContact CG-CB 3.99Å; M111-L118 HydrophobicContact CG-CD1 3.92Å
112H98.9Very high98.8Very high52 Ų5237.2 Ų37.224%0.24119%0.193CC..Hα-helixtrans-64-38.8-176.6-59.6155.3000112.8A108 R109 R114 G115 E151 D153A108-H112 PolarHBondContact O-CD2 3.3Å; A108-H112 VanDerWaalsContact O-CG 3.22Å; A108-H112 PolarHBondContact O-N 3.5Å; A108-H112 PolarHBondContact O-ND1 3.1Å; R109-H112 PolarHBondContact O-N 2.87Å; H112-R114 PolarHBondContact O-N 2.88Å; H112-R114 VanDerWaalsContact O-N 3.12Å; H112-G115 PolarHBondContact O-N 2.85Å; H112-E151 PolarHBondContact CE1-O 3.22Å; H112-E151 IonicContact ND1-OE2 3.06Å; H112-E151 PolarHBondContact NE2-O 3.26Å; H112-D153 IonicContact CD2-OD2 2.73Å; H112-D153 IonicContact CE1-OD2 2.68Å; H112-D153 IonicContact NE2-OD1 3.38Å; H112-D153 IonicContact NE2-OD2 3.08Å; H112-D153 PolarHBondContact NE2-OD2 3.29Å
113D98.7Very high98.8Very high136 Ų13636 Ų3673%0.72718%0.18SC*.Hα-helixtrans-60.4-22.2175.6-73.7-17.6000112.4R109 M111R109-D113 WeakPolarHBondContact O-CB 3.31Å; R109-D113 VanDerWaalsContact O-CG 3.28Å; R109-D113 PolarHBondContact O-N 3.2Å; M111-D113 PolarHBondContact O-N 3.15Å
114R98.5Very high98.8Very high53 Ų5335 Ų3520%0.217%0.169CC..THydrogen-bonded Turntrans-97.22174.7-73.4163.5177.862.88.9113.3D61 Y64 K69 Y110 M111 H112 L116D61-R114 IonicContact OD1-CZ 2.8Å; D61-R114 VanDerWaalsContact OD1-CZ 3.26Å; D61-R114 IonicContact OD1-NE 3.51Å; D61-R114 PolarHBondContact OD1-NE 3Å; D61-R114 IonicContact OD1-NH2 3.64Å; D61-R114 PolarHBondContact OD1-NH2 2.94Å; Y64-R114 HydrophobicContact CD2-CB 3.89Å; Y64-R114 HydrophobicContact CD2-CG 4.09Å; Y64-R114 HydrophobicContact CG-CB 4.24Å; Y64-R114 HydrophobicContact CG-CG 4.08Å; K69-R114 VanDerWaalsContact CD-O 3.31Å; K69-R114 WeakPolarHBondContact CD-O 3.19Å; K69-R114 WeakPolarHBondContact CE-O 3.34Å; K69-R114 PolarHBondContact NZ-O 3.34Å; Y110-R114 VanDerWaalsContact CZ-NH1 3.33Å; Y110-R114 PolarHBondContact O-NH1 2.84Å; Y110-R114 VanDerWaalsContact OH-CZ 3.29Å; Y110-R114 PolarHBondContact OH-NH2 2.79Å; M111-R114 CarbonylContact O-C 3.53Å; M111-R114 PolarHBondContact O-N 2.94Å; H112-R114 PolarHBondContact O-N 2.88Å; H112-R114 VanDerWaalsContact O-N 3.12Å; R114-L116 HydrophobicContact CB-CD1 4.19Å; R114-L116 HydrophobicContact CB-CG 4.14Å; R114-L116 PolarHBondContact O-N 3.48Å
115G98.6Very high98.8Very high42 Ų4235 Ų3543%0.43317%0.169SC..THydrogen-bonded Turntrans6624.3-172.900000113.4M111 H112M111-G115 PolarHBondContact O-N 2.79Å; H112-G115 PolarHBondContact O-N 2.85Å
116L98.9Very high98.8Very high4 Ų436.4 Ų36.42%0.02118%0.18CC..  trans-95175.7169.5-59.6174.6000109.5A60 L63 K69 V74 V76 M111 R114A60-L116 HydrophobicContact CB-CD1 3.85Å; A60-L116 WeakPolarHBondContact O-CD1 3.48Å; L63-L116 HydrophobicContact CB-CD1 4.02Å; L63-L116 HydrophobicContact CB-CD2 4.11Å; L63-L116 HydrophobicContact CD2-CD2 4.2Å; K69-L116 HydrophobicContact CB-CD2 4.08Å; K69-L116 HydrophobicContact CD-CD2 4.24Å; K69-L116 HydrophobicContact CG-CD2 3.95Å; V74-L116 CarbonylContact O-C 3.59Å; V74-L116 WeakPolarHBondContact O-CA 3.44Å; V76-L116 HydrophobicContact CG2-CD1 4.09Å; M111-L116 HydrophobicContact CB-CB 4.07Å; M111-L116 WeakPolarHBondContact O-CA 3.37Å; M111-L116 WeakPolarHBondContact O-CB 3.39Å; M111-L116 PolarHBondContact O-N 2.79Å; R114-L116 HydrophobicContact CB-CD1 4.19Å; R114-L116 HydrophobicContact CB-CG 4.14Å; R114-L116 PolarHBondContact O-N 3.48Å
117K98.9Very high98.8Very high74 Ų7434 Ų3432%0.32217%0.17SC..EExtended strand (participates in β ladder)trans-127.5137.8-178.2-68.9-176.3175.1-62.90109.4V74 Y75 V76 D153V74-K117 HydrophobicContact CG2-CD 4.34Å; V74-K117 PolarHBondContact O-N 3.08Å; Y75-K117 CarbonylContact C-O 3.57Å; Y75-K117 WeakPolarHBondContact CA-O 3.48Å; Y75-K117 HydrophobicContact CD1-CB 3.71Å; Y75-K117 HydrophobicContact CD1-CD 4.18Å; Y75-K117 HydrophobicContact CE1-CB 3.94Å; Y75-K117 HydrophobicContact CE1-CD 3.6Å; Y75-K117 HydrophobicContact CE1-CG 4.42Å; Y75-K117 HydrophobicContact CE2-CD 4.27Å; Y75-K117 HydrophobicContact CG-CB 4.29Å; V76-K117 PolarHBondContact N-O 3.03Å; K117-D153 VanDerWaalsContact CA-OD2 3.23Å; K117-D153 WeakPolarHBondContact CA-OD2 3.26Å; K117-D153 HydrophobicContact CB-CB 3.77Å; K117-D153 HydrophobicContact CD-CB 4.37Å; K117-D153 HydrophobicContact CG-CB 4.19Å
118L98.9Very high98.8Very high0 Ų034.1 Ų34.10%017%0.171CC..EExtended strand (participates in β ladder)trans-95.5124.5177.4-172.972.1000110.6I78 I104 L107 A108 M111 D153 M154I78-L118 HydrophobicContact CD1-CD1 4.09Å; I78-L118 HydrophobicContact CD1-CD2 4.46Å; I78-L118 HydrophobicContact CG1-CD1 4.21Å; I104-L118 HydrophobicContact CG2-CD2 3.82Å; L107-L118 HydrophobicContact CD2-CD1 4.4Å; L107-L118 HydrophobicContact CG-CD1 4.27Å; A108-L118 HydrophobicContact CB-CB 4.25Å; A108-L118 HydrophobicContact CB-CD2 3.68Å; M111-L118 HydrophobicContact CB-CB 4.45Å; M111-L118 HydrophobicContact CE-CD1 4.07Å; M111-L118 HydrophobicContact CG-CB 3.99Å; M111-L118 HydrophobicContact CG-CD1 3.92Å; L118-D153 PolarHBondContact N-OD2 3.46Å; L118-D153 WeakPolarHBondContact O-CA 3.31Å; L118-D153 WeakPolarHBondContact O-CB 3.37Å; L118-D153 PolarHBondContact O-N 3.42Å; L118-M154 PolarHBondContact O-N 2.02Å
119G98.9Very high98.7Very high1 Ų136.1 Ų36.11%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-98.7151.9164.800000112.2V76 N77 I78 M154V76-G119 PolarHBondContact O-N 2.85Å; N77-G119 VanDerWaalsContact OD1-CA 3.24Å; N77-G119 WeakPolarHBondContact OD1-CA 3.23Å; N77-G119 PolarHBondContact OD1-N 3.05Å; I78-G119 PolarHBondContact N-O 3.35Å; G119-M154 CarbonylContact C-O 3.13Å; G119-M154 WeakPolarHBondContact CA-O 3.25Å
120I98.9Very high98.7Very high2 Ų231.7 Ų31.71%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-132.9167173.4-152.6167.3000111.3I78 W82 I104 F147 W150 V152 M154 F155 K156I78-I120 HydrophobicContact CB-CG1 4.45Å; I78-I120 CarbonylContact O-C 3.54Å; W82-I120 HydrophobicContact CD2-CD1 4.16Å; W82-I120 HydrophobicContact CD2-CG1 4.34Å; W82-I120 HydrophobicContact CE3-CD1 4.32Å; W82-I120 HydrophobicContact CH2-CD1 3.87Å; W82-I120 HydrophobicContact CZ2-CD1 3.64Å; W82-I120 HydrophobicContact CZ2-CG1 4.12Å; W82-I120 HydrophobicContact CZ3-CD1 4.17Å; I104-I120 HydrophobicContact CD1-CD1 4.48Å; I104-I120 HydrophobicContact CG1-CD1 4.18Å; I104-I120 HydrophobicContact CG2-CD1 3.98Å; I120-F147 HydrophobicContact CD1-CD1 4.19Å; I120-F147 HydrophobicContact CD1-CE1 4.1Å; I120-F147 HydrophobicContact CG2-CD1 3.66Å; I120-F147 HydrophobicContact CG2-CE1 3.83Å; I120-F147 HydrophobicContact CG2-CG 4.04Å; I120-F147 HydrophobicContact CG2-CZ 4.34Å; I120-W150 HydrophobicContact CD1-CE3 4.17Å; I120-W150 HydrophobicContact CD1-CZ3 4.01Å; I120-V152 HydrophobicContact CB-CG1 4.16Å; I120-V152 HydrophobicContact CB-CG2 4.27Å; I120-V152 HydrophobicContact CG2-CG1 3.73Å; I120-V152 HydrophobicContact CG2-CG2 4.1Å; I120-M154 PolarHBondContact N-O 3.41Å; I120-F155 HydrophobicContact CG2-CD2 3.75Å; I120-F155 HydrophobicContact CG2-CE2 4.37Å; I120-F155 WeakPolarHBondContact O-CA 3.32Å; I120-K156 PolarHBondContact O-N 3.12Å
121Y98.9Very high98.7Very high1 Ų130 Ų300%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-121.4145.5-176.4171.3-82.8000111.9I78 D79 D80 W82 T128 K156 D158I78-Y121 WeakPolarHBondContact O-CB 3.49Å; I78-Y121 PolarHBondContact O-N 3.03Å; D79-Y121 VanDerWaalsContact C-CB 3.45Å; D80-Y121 HydrophobicContact CB-CD1 3.97Å; D80-Y121 HydrophobicContact CB-CE1 3.62Å; D80-Y121 HydrophobicContact CB-CE2 4.47Å; D80-Y121 VanDerWaalsContact CG-CE1 3.43Å; W82-Y121 PolarHBondContact NE1-O 2.99Å; Y121-T128 HydrophobicContact CD1-CG2 4.43Å; Y121-T128 HydrophobicContact CE1-CG2 3.72Å; Y121-K156 WeakPolarHBondContact CA-O 3.48Å; Y121-K156 HydrophobicContact CD2-CB 4.35Å; Y121-K156 HydrophobicContact CD2-CD 3.84Å; Y121-K156 HydrophobicContact CD2-CG 4Å; Y121-K156 HydrophobicContact CE2-CD 4.29Å; Y121-D158 HydrophobicContact CE2-CB 3.58Å; Y121-D158 VanDerWaalsContact CE2-OD2 3.3Å; Y121-D158 WeakPolarHBondContact CE2-OD2 3.39Å; Y121-D158 WeakPolarHBondContact OH-CB 3.48Å; Y121-D158 PolarHBondContact OH-OD2 3.23Å
122G98.8Very high98.7Very high4 Ų430.8 Ų30.84%0.04118%0.182CC..EExtended strand (participates in β ladder)trans-151.8179.3165.900000110F155 K156 F157 D158G122-F155 VanDerWaalsContact N-CE2 3.26Å; G122-K156 PolarHBondContact N-O 3.14Å; G122-F157 WeakPolarHBondContact O-CA 3.26Å; G122-D158 PolarHBondContact O-N 2.88Å
123D98.9Very high98.7Very high0 Ų029.4 Ų29.40%018%0.178CC..EExtended strand (participates in β ladder)trans-134.3131.7-175.4-168.4-47.4000110.6G125 T128 C129 T135 F157 D158 G159 C160D123-G125 VanDerWaalsContact C-N 3.29Å; D123-G125 PolarHBondContact O-N 3.12Å; D123-G125 PolarHBondContact OD1-N 3.11Å; D123-T128 HydrophobicContact CB-CG2 4.04Å; D123-C129 PolarHBondContact OD2-N 3Å; D123-T135 WeakPolarHBondContact O-CA 3.31Å; D123-T135 WeakPolarHBondContact O-CB 3.49Å; D123-T135 PolarHBondContact O-N 2.78Å; D123-F157 WeakPolarHBondContact O-CE2 3.4Å; D123-D158 HydrophobicContact CB-CB 4.13Å; D123-G159 WeakPolarHBondContact OD1-CA 3.4Å; D123-G159 PolarHBondContact OD1-N 2.77Å; D123-C160 PolarHBondContact OD1-N 3.25Å; D123-C160 VanDerWaalsContact OD2-CB 3.23Å; D123-C160 WeakPolarHBondContact OD2-CB 3.25Å; D123-C160 PolarHBondContact OD2-N 3.08Å
124M98.5Very high98.7Very high2 Ų223.1 Ų23.11%0.0115%0.145CC..SBendtrans-72.987.2168-174.352.8-138.600109.2V137 I140 F157 D158 S162 E166 G170 Y171M124-V137 HydrophobicContact CE-CG2 3.57Å; M124-I140 HydrophobicContact SD-CD1 4.28Å; M124-F157 VanDerWaalsContact CA-CZ 3.45Å; M124-F157 HydrophobicContact CB-CD1 3.95Å; M124-F157 HydrophobicContact CB-CE1 3.47Å; M124-F157 VanDerWaalsContact CB-CE1 3.47Å; M124-F157 HydrophobicContact CB-CE2 4.11Å; M124-F157 HydrophobicContact CB-CZ 3.54Å; M124-F157 HydrophobicContact CG-CE1 3.97Å; M124-F157 HydrophobicContact CG-CZ 4.16Å; M124-F157 HydrophobicContact SD-CE1 3.81Å; M124-F157 HydrophobicContact SD-CZ 3.71Å; M124-D158 WeakPolarHBondContact CB-O 3.2Å; M124-D158 PolarHBondContact N-O 3.35Å; M124-S162 WeakPolarHBondContact O-CB 3.44Å; M124-S162 PolarHBondContact O-OG 3.33Å; M124-E166 HydrophobicContact CE-CB 4.13Å; M124-G170 VanDerWaalsContact SD-CA 3.58Å; M124-Y171 HydrophobicContact CB-CE2 4.24Å
125G98.3Very high98.7Very high3 Ų320.6 Ų20.63%0.03114%0.135CC..SBendtrans172.4-177.6-175.300000112.6D123 H127 G134 T135 T136D123-G125 VanDerWaalsContact C-N 3.29Å; D123-G125 PolarHBondContact O-N 3.12Å; D123-G125 PolarHBondContact OD1-N 3.11Å; G125-H127 VanDerWaalsContact C-N 3.33Å; G125-G134 CarbonylContact O-C 3.58Å; G125-G134 WeakPolarHBondContact O-CA 3.19Å; G125-T135 PolarHBondContact N-O 3.23Å; G125-T135 CarbonylContact O-C 3.42Å; G125-T135 PolarHBondContact O-N 2.98Å; G125-T136 PolarHBondContact O-N 3.3Å
126T98.3Very high98.7Very high70 Ų7020.4 Ų20.443%0.42913%0.126SC..SBendtrans-73.9-28.3176.655.80000112.7G134 T136 Y161T126-G134 PolarHBondContact O-N 3.28Å; T126-G134 VanDerWaalsContact O-N 3.12Å; T126-T136 HydrophobicContact CG2-CG2 4.09Å; T126-Y161 PolarHBondContact N-O 3.09Å
127H98.7Very high98.7Very high83 Ų8322.9 Ų22.938%0.38414%0.141SC..BIsolated β-bridgetrans-141.2157.8178.9-58.576.5000109.3G125 Y132 Y161G125-H127 VanDerWaalsContact C-N 3.33Å; H127-Y132 CarbonylContact C-O 3.48Å; H127-Y132 WeakPolarHBondContact CA-O 3.31Å; H127-Y132 WeakPolarHBondContact CB-O 3.43Å; H127-Y161 HydrophobicContact CB-CD2 3.76Å; H127-Y161 HydrophobicContact CB-CE2 4.1Å; H127-Y161 HydrophobicContact CB-CG 4Å; H127-Y161 WeakPolarHBondContact O-CD2 3.38Å
128T98.8Very high98.6Very high5 Ų525 Ų253%0.03116%0.156CC..  trans-69164.516372.70000111D80 Y121 D123 G130 G131 Y132 Y161D80-T128 VanDerWaalsContact CG-OG1 3.25Å; D80-T128 WeakPolarHBondContact OD1-CB 3.25Å; D80-T128 PolarHBondContact OD1-OG1 2.98Å; D80-T128 WeakPolarHBondContact OD2-CB 3.48Å; D80-T128 PolarHBondContact OD2-OG1 3.03Å; D80-T128 VanDerWaalsContact OD2-OG1 3.06Å; Y121-T128 HydrophobicContact CD1-CG2 4.43Å; Y121-T128 HydrophobicContact CE1-CG2 3.72Å; D123-T128 HydrophobicContact CB-CG2 4.04Å; T128-G130 PolarHBondContact O-N 3.07Å; T128-G130 PolarHBondContact OG1-N 3.43Å; T128-G131 WeakPolarHBondContact O-CA 3.38Å; T128-G131 PolarHBondContact O-N 2.78Å; T128-G131 PolarHBondContact OG1-N 3Å; T128-Y132 PolarHBondContact N-O 2.89Å; T128-Y132 WeakPolarHBondContact OG1-CB 3.37Å; T128-Y132 PolarHBondContact OG1-N 2.91Å; T128-Y161 WeakPolarHBondContact O-CD2 3.4Å; T128-Y161 WeakPolarHBondContact O-CE2 3.39Å
129C98.4Very high98.6Very high42 Ų4227.7 Ų27.728%0.28417%0.168SC..THydrogen-bonded Turntrans-55.5-32.2175.5-58.30000113.2D80 D123 G131 D158 C160 Y194D80-C129 PolarHBondContact OD2-N 3.27Å; D123-C129 PolarHBondContact OD2-N 3Å; C129-G131 VanDerWaalsContact C-N 3.31Å; C129-D158 PolarHBondContact SG-OD2 2.59Å; C129-D158 VanDerWaalsContact SG-OD2 3.36Å; C129-C160 VanDerWaalsContact CA-SG 3.56Å; C129-C160 HydrophobicContact CB-CB 3.95Å; C129-C160 WeakPolarHBondContact CB-SG 3.33Å; C129-C160 WeakPolarHBondContact SG-CB 3.28Å; C129-C160 CovalentContact SG-SG 2.04Å; C129-C160 PolarHBondContact SG-SG 3.3Å; C129-Y194 PolarHBondContact SG-OH 2.98Å
130G98Very high98.6Very high35 Ų3527.8 Ų27.836%0.36117%0.168SC..THydrogen-bonded Turntrans-82.31.7173.900000114.8D80 T128D80-G130 WeakPolarHBondContact OD2-CA 3.28Å; D80-G130 PolarHBondContact OD2-N 3.08Å; T128-G130 PolarHBondContact O-N 3.07Å; T128-G130 PolarHBondContact OG1-N 3.43Å
131G98.5Very high98.6Very high22 Ų2233.6 Ų33.623%0.22720%0.199CC..SBendtrans87.111.7174.600000115.7T128 C129T128-G131 WeakPolarHBondContact O-CA 3.38Å; T128-G131 PolarHBondContact O-N 2.78Å; T128-G131 PolarHBondContact OG1-N 3Å; C129-G131 VanDerWaalsContact C-N 3.31Å
132Y98.8Very high98.6Very high16 Ų1635.7 Ų35.76%0.06321%0.21CC..SBendtrans-82167.9176.6-69.9-98.6000111.1C81 A83 M85 H127 T128 G134C81-Y132 VanDerWaalsContact CA-CE2 3.44Å; C81-Y132 HydrophobicContact CB-CD2 4.22Å; C81-Y132 HydrophobicContact CB-CE2 3.55Å; C81-Y132 VanDerWaalsContact SG-CE2 3.52Å; A83-Y132 HydrophobicContact CB-CD1 4.26Å; A83-Y132 WeakPolarHBondContact O-CD1 3.47Å; A83-Y132 WeakPolarHBondContact O-CE1 3.48Å; M85-Y132 HydrophobicContact SD-CD1 3.83Å; M85-Y132 HydrophobicContact SD-CE1 3.98Å; M85-Y132 HydrophobicContact SD-CG 4.34Å; H127-Y132 CarbonylContact C-O 3.48Å; H127-Y132 WeakPolarHBondContact CA-O 3.31Å; H127-Y132 WeakPolarHBondContact CB-O 3.43Å; T128-Y132 PolarHBondContact N-O 2.89Å; T128-Y132 WeakPolarHBondContact OG1-CB 3.37Å; T128-Y132 PolarHBondContact OG1-N 2.91Å; Y132-G134 PolarHBondContact O-N 3.07Å; Y132-G134 VanDerWaalsContact O-N 3.13Å
133P98.8Very high98.6Very high22 Ų2235.5 Ų35.514%0.14321%0.208CC..BIsolated β-bridgetrans-55.1119.4179.7-29.437.9000113.1S84 M85 R87 L93S84-P133 VanDerWaalsContact O-CD 3.31Å; S84-P133 WeakPolarHBondContact O-CD 3.47Å; S84-P133 WeakPolarHBondContact O-CG 3.33Å; M85-P133 WeakPolarHBondContact O-CG 3.41Å; R87-P133 HydrophobicContact CG-CB 4.4Å; L93-P133 HydrophobicContact CD2-CB 4.1Å
134G98.6Very high98.6Very high4 Ų435.6 Ų35.64%0.04121%0.209CC..PPolyproline II helixtrans-80.2173.3175.300000112.6R87 G125 T126 Y132R87-G134 PolarHBondContact NH2-O 3.19Å; G125-G134 CarbonylContact O-C 3.58Å; G125-G134 WeakPolarHBondContact O-CA 3.19Å; T126-G134 PolarHBondContact O-N 3.28Å; T126-G134 VanDerWaalsContact O-N 3.12Å; Y132-G134 PolarHBondContact O-N 3.07Å; Y132-G134 VanDerWaalsContact O-N 3.13Å
135T98.9Very high98.6Very high0 Ų039.2 Ų39.20%023%0.225CC..  trans-103.193.4171.8-56.50000108.8D123 G125 K139 I140 D143 F157 M174D123-T135 WeakPolarHBondContact O-CA 3.31Å; D123-T135 WeakPolarHBondContact O-CB 3.49Å; D123-T135 PolarHBondContact O-N 2.78Å; G125-T135 PolarHBondContact N-O 3.23Å; G125-T135 CarbonylContact O-C 3.42Å; G125-T135 PolarHBondContact O-N 2.98Å; T135-K139 HydrophobicContact CG2-CB 4.2Å; T135-I140 HydrophobicContact CG2-CG1 3.92Å; T135-D143 WeakPolarHBondContact CB-OD2 3.23Å; T135-D143 HydrophobicContact CG2-CB 4.1Å; T135-D143 VanDerWaalsContact CG2-OD2 3.26Å; T135-D143 WeakPolarHBondContact CG2-OD2 3.41Å; T135-D143 PolarHBondContact OG1-OD2 3.39Å; T135-F157 HydrophobicContact CG2-CE2 4.19Å; T135-F157 HydrophobicContact CG2-CZ 4.05Å; T135-M174 HydrophobicContact CG2-CE 3.84Å
136T98.4Very high98.6Very high39 Ų3939 Ų3924%0.23922%0.224CC..  trans-69.2165.4169.352.60000110.7G125 T126 D138 K139 I140G125-T136 PolarHBondContact O-N 3.3Å; T126-T136 HydrophobicContact CG2-CG2 4.09Å; T136-D138 VanDerWaalsContact CB-OD1 3.26Å; T136-D138 WeakPolarHBondContact CB-OD1 3.49Å; T136-D138 PolarHBondContact O-N 3.25Å; T136-D138 VanDerWaalsContact O-N 3.14Å; T136-D138 PolarHBondContact OG1-OD1 3.31Å; T136-K139 WeakPolarHBondContact O-CA 3.18Å; T136-K139 PolarHBondContact O-N 3.17Å; T136-K139 WeakPolarHBondContact OG1-CG 3.4Å; T136-I140 PolarHBondContact O-N 3.11Å
137V98.3Very high98.7Very high55 Ų5535.7 Ų35.733%0.33320%0.203SC..G310 helixtrans-53.2-38.8-177.4177.80000112.6M124 K139 L169 L173M124-V137 HydrophobicContact CE-CG2 3.57Å; V137-K139 PolarHBondContact O-N 3.41Å; V137-L169 HydrophobicContact CG1-CD2 3.95Å; V137-L169 HydrophobicContact CG2-CD2 4.18Å; V137-L173 HydrophobicContact CG1-CD1 3.92Å
138D98Very high98.7Very high119 Ų11932.3 Ų32.364%0.63619%0.19SC*.G310 helixtrans-73.3-11.7178.466.2-64.8000114.2T136T136-D138 VanDerWaalsContact CB-OD1 3.26Å; T136-D138 WeakPolarHBondContact CB-OD1 3.49Å; T136-D138 PolarHBondContact O-N 3.25Å; T136-D138 VanDerWaalsContact O-N 3.14Å; T136-D138 PolarHBondContact OG1-OD1 3.31Å
139K98.6Very high98.7Very high56 Ų5635.6 Ų35.624%0.24321%0.207CC..G310 helixtrans-101.8-7.6179.1-60.6-60.6177.8-1730114.1T135 T136 V137 D141 I142 D143T135-K139 HydrophobicContact CG2-CB 4.2Å; T136-K139 WeakPolarHBondContact O-CA 3.18Å; T136-K139 PolarHBondContact O-N 3.17Å; T136-K139 WeakPolarHBondContact OG1-CG 3.4Å; V137-K139 PolarHBondContact O-N 3.41Å; K139-D141 PolarHBondContact O-N 2.93Å; K139-I142 HydrophobicContact CB-CG2 4.2Å; K139-I142 HydrophobicContact CD-CG2 4Å; K139-I142 WeakPolarHBondContact O-CG2 3.47Å; K139-I142 PolarHBondContact O-N 3.4Å; K139-D143 WeakPolarHBondContact O-CB 3.39Å; K139-D143 PolarHBondContact O-N 2.7Å
140I98.8Very high98.7Very high3 Ų335.5 Ų35.52%0.01520%0.201CC..Hα-helixtrans-54.9-50.3-175.7-71.6175.9000112.1M124 T135 T136 D143 A144 L173 M174 A177M124-I140 HydrophobicContact SD-CD1 4.28Å; T135-I140 HydrophobicContact CG2-CG1 3.92Å; T136-I140 PolarHBondContact O-N 3.11Å; I140-D143 PolarHBondContact O-N 2.84Å; I140-A144 VanDerWaalsContact O-CB 3.29Å; I140-A144 WeakPolarHBondContact O-CB 3.49Å; I140-A144 PolarHBondContact O-N 2.96Å; I140-L173 HydrophobicContact CD1-CB 3.71Å; I140-L173 HydrophobicContact CD1-CD1 4.17Å; I140-L173 HydrophobicContact CG2-CB 4.25Å; I140-M174 HydrophobicContact CB-CE 4.35Å; I140-M174 HydrophobicContact CG1-CE 4.31Å; I140-M174 HydrophobicContact CG2-CB 4.15Å; I140-M174 HydrophobicContact CG2-CE 4Å; I140-M174 HydrophobicContact CG2-SD 4.33Å; I140-A177 HydrophobicContact CG2-CB 3.69Å
141D98.8Very high98.7Very high124 Ų12436.3 Ų36.366%0.66320%0.195SC*.Hα-helixtrans-66.5-42.4-176-69.4-28.6000112.1K139 Q145K139-D141 PolarHBondContact O-N 2.93Å; D141-Q145 WeakPolarHBondContact O-CB 3.25Å; D141-Q145 PolarHBondContact O-N 2.93Å
142I98.8Very high98.7Very high46 Ų4635.2 Ų35.224%0.23618%0.184CC..Hα-helixtrans-70.1-36.8-179.8-171.9169.9000111.7D90 R92 K139 T146D90-I142 WeakPolarHBondContact O-CD1 3.42Å; R92-I142 HydrophobicContact CG-CD1 3.66Å; R92-I142 HydrophobicContact CG-CG1 3.87Å; K139-I142 HydrophobicContact CB-CG2 4.2Å; K139-I142 HydrophobicContact CD-CG2 4Å; K139-I142 WeakPolarHBondContact O-CG2 3.47Å; K139-I142 PolarHBondContact O-N 3.4Å; I142-T146 WeakPolarHBondContact O-CB 3.45Å; I142-T146 PolarHBondContact O-N 3.39Å; I142-T146 PolarHBondContact O-OG1 3.12Å
143D98.9Very high98.8Very high0 Ų035.1 Ų35.10%019%0.185CC..Hα-helixtrans-72.5-43.3178.7-73-6.9000111.1R87 L93 T135 K139 I140 Q145 T146 F147R87-D143 IonicContact CZ-OD1 3.26Å; R87-D143 IonicContact CZ-OD2 3.92Å; R87-D143 IonicContact NH1-OD1 3.72Å; R87-D143 PolarHBondContact NH1-OD1 2.96Å; R87-D143 IonicContact NH1-OD2 2.81Å; R87-D143 IonicContact NH2-OD1 3.72Å; R87-D143 PolarHBondContact NH2-OD1 2.91Å; R87-D143 IonicContact NH2-OD2 2.87Å; R87-D143 PolarHBondContact NH2-OD2 2.82Å; L93-D143 HydrophobicContact CD1-CB 4.4Å; T135-D143 WeakPolarHBondContact CB-OD2 3.23Å; T135-D143 HydrophobicContact CG2-CB 4.1Å; T135-D143 VanDerWaalsContact CG2-OD2 3.26Å; T135-D143 WeakPolarHBondContact CG2-OD2 3.41Å; T135-D143 PolarHBondContact OG1-OD2 3.39Å; K139-D143 WeakPolarHBondContact O-CB 3.39Å; K139-D143 PolarHBondContact O-N 2.7Å; I140-D143 PolarHBondContact O-N 2.84Å; D143-Q145 VanDerWaalsContact C-N 3.33Å; D143-Q145 PolarHBondContact O-N 3.02Å; D143-T146 WeakPolarHBondContact O-CA 2.97Å; D143-T146 WeakPolarHBondContact O-CB 3.35Å; D143-T146 PolarHBondContact O-N 3.16Å; D143-F147 HydrophobicContact CB-CE2 4.05Å; D143-F147 HydrophobicContact CB-CZ 4.3Å; D143-F147 WeakPolarHBondContact O-CD2 3.41Å; D143-F147 VanDerWaalsContact O-CG 3.29Å; D143-F147 WeakPolarHBondContact O-CG 3.25Å; D143-F147 PolarHBondContact O-N 3.08Å
144A98.9Very high98.8Very high1 Ų134.2 Ų34.21%0.00818%0.179CC..Hα-helixtrans-56.9-46.8172.900000111.5I140 T146 F147 A148 M174 A177 L178 T181I140-A144 VanDerWaalsContact O-CB 3.29Å; I140-A144 WeakPolarHBondContact O-CB 3.49Å; I140-A144 PolarHBondContact O-N 2.96Å; A144-T146 VanDerWaalsContact C-N 3.3Å; A144-T146 PolarHBondContact O-N 2.84Å; A144-F147 PolarHBondContact O-N 2.73Å; A144-A148 PolarHBondContact O-N 3.29Å; A144-A148 VanDerWaalsContact O-N 3.08Å; A144-M174 HydrophobicContact CB-SD 4.05Å; A144-A177 HydrophobicContact CB-CB 3.6Å; A144-L178 HydrophobicContact CB-CD2 4.08Å; A144-L178 HydrophobicContact CB-CG 4.43Å; A144-T181 HydrophobicContact CB-CG2 4.33Å
145Q98.9Very high98.8Very high78 Ų7834 Ų3436%0.36418%0.177SC..Hα-helixtrans-63.6-37.3175-170.66153.700111.6D141 D143 F147 A148 D149D141-Q145 WeakPolarHBondContact O-CB 3.25Å; D141-Q145 PolarHBondContact O-N 2.93Å; D143-Q145 VanDerWaalsContact C-N 3.33Å; D143-Q145 PolarHBondContact O-N 3.02Å; Q145-F147 PolarHBondContact O-N 3.38Å; Q145-A148 PolarHBondContact O-N 3.31Å; Q145-D149 PolarHBondContact NE2-OD1 2.91Å; Q145-D149 WeakPolarHBondContact O-CB 3.3Å; Q145-D149 PolarHBondContact O-N 3Å
146T98.9Very high98.8Very high0 Ų034.8 Ų34.80%018%0.18CC..Hα-helixtrans-61.2-45.1177.5-61.10000112.2R92 I142 D143 A144 D149 W150R92-T146 PolarHBondContact NE-OG1 3.35Å; R92-T146 VanDerWaalsContact NH2-CA 3.34Å; R92-T146 PolarHBondContact NH2-OG1 3.25Å; I142-T146 WeakPolarHBondContact O-CB 3.45Å; I142-T146 PolarHBondContact O-N 3.39Å; I142-T146 PolarHBondContact O-OG1 3.12Å; D143-T146 WeakPolarHBondContact O-CA 2.97Å; D143-T146 WeakPolarHBondContact O-CB 3.35Å; D143-T146 PolarHBondContact O-N 3.16Å; A144-T146 VanDerWaalsContact C-N 3.3Å; A144-T146 PolarHBondContact O-N 2.84Å; T146-D149 PolarHBondContact O-N 2.95Å; T146-W150 HydrophobicContact CG2-CD2 3.9Å; T146-W150 HydrophobicContact CG2-CE3 3.96Å; T146-W150 HydrophobicContact CG2-CH2 3.6Å; T146-W150 HydrophobicContact CG2-CZ2 3.52Å; T146-W150 HydrophobicContact CG2-CZ3 3.81Å; T146-W150 PolarHBondContact O-N 2.95Å
147F98.9Very high98.8Very high0 Ų032.9 Ų32.90%017%0.168CC..Hα-helixtrans-66.6-38.1176.9-55-41.6000112.3W82 L93 I120 D143 A144 Q145 W150 E151 V152 F155 I185W82-F147 HydrophobicContact CZ2-CE1 4.34Å; L93-F147 HydrophobicContact CD1-CE1 3.94Å; L93-F147 HydrophobicContact CD1-CZ 3.69Å; I120-F147 HydrophobicContact CD1-CD1 4.19Å; I120-F147 HydrophobicContact CD1-CE1 4.1Å; I120-F147 HydrophobicContact CG2-CD1 3.66Å; I120-F147 HydrophobicContact CG2-CE1 3.83Å; I120-F147 HydrophobicContact CG2-CG 4.04Å; I120-F147 HydrophobicContact CG2-CZ 4.34Å; D143-F147 HydrophobicContact CB-CE2 4.05Å; D143-F147 HydrophobicContact CB-CZ 4.3Å; D143-F147 WeakPolarHBondContact O-CD2 3.41Å; D143-F147 VanDerWaalsContact O-CG 3.29Å; D143-F147 WeakPolarHBondContact O-CG 3.25Å; D143-F147 PolarHBondContact O-N 3.08Å; A144-F147 PolarHBondContact O-N 2.73Å; Q145-F147 PolarHBondContact O-N 3.38Å; F147-W150 HydrophobicContact CD1-CE3 4.14Å; F147-W150 HydrophobicContact CD1-CZ3 4.2Å; F147-W150 HydrophobicContact CE1-CZ3 4.28Å; F147-W150 PolarHBondContact O-N 3.28Å; F147-E151 PolarHBondContact O-N 2.89Å; F147-V152 HydrophobicContact CB-CB 4.11Å; F147-V152 HydrophobicContact CB-CG2 4.21Å; F147-V152 WeakPolarHBondContact O-CB 3.03Å; F147-V152 PolarHBondContact O-N 2.83Å; F147-F155 AromaticContact CD2-CD2 3.99Å; F147-F155 HydrophobicContact CD2-CD2 3.99Å; F147-F155 HydrophobicContact CD2-CE2 4.01Å; F147-F155 HydrophobicContact CD2-CG 4.34Å; F147-F155 HydrophobicContact CD2-CZ 4.39Å; F147-F155 AromaticContact CE2-CD2 3.72Å; F147-F155 HydrophobicContact CE2-CD2 3.72Å; F147-F155 HydrophobicContact CE2-CE1 4.19Å; F147-F155 AromaticContact CE2-CE2 3.26Å; F147-F155 HydrophobicContact CE2-CE2 3.26Å; F147-F155 HydrophobicContact CE2-CG 4.34Å; F147-F155 AromaticContact CE2-CZ 3.54Å; F147-F155 HydrophobicContact CE2-CZ 3.54Å; F147-F155 HydrophobicContact CZ-CD2 4.21Å; F147-F155 AromaticContact CZ-CE2 3.59Å; F147-F155 HydrophobicContact CZ-CE2 3.59Å; F147-F155 HydrophobicContact CZ-CZ 4.13Å; F147-I185 HydrophobicContact CB-CD1 4.47Å
148A98.9Very high98.8Very high12 Ų1231 Ų3110%0.09916%0.156CC..Hα-helixtrans-65.1-43.8175.100000112.5A144 Q145 W150 E151 T181 R183 I185A144-A148 PolarHBondContact O-N 3.29Å; A144-A148 VanDerWaalsContact O-N 3.08Å; Q145-A148 PolarHBondContact O-N 3.31Å; A148-W150 VanDerWaalsContact C-N 3.25Å; A148-W150 PolarHBondContact O-N 2.86Å; A148-E151 PolarHBondContact O-N 2.86Å; A148-T181 VanDerWaalsContact CB-CB 3.49Å; A148-T181 HydrophobicContact CB-CG2 3.73Å; A148-R183 HydrophobicContact CB-CB 4.13Å; A148-I185 HydrophobicContact CB-CD1 4.29Å
149D98.8Very high98.9Very high73 Ų7325.4 Ų25.439%0.3913%0.127SC..Hα-helixtrans-62-34.4176.1-65.7-21.6000111.7R92 Q145 T146 E151R92-D149 IonicContact CZ-OD2 3.87Å; R92-D149 IonicContact NH1-OD2 2.72Å; R92-D149 PolarHBondContact NH1-OD2 3.03Å; R92-D149 VanDerWaalsContact NH1-OD2 3.08Å; R92-D149 IonicContact NH2-OD2 3.35Å; R92-D149 PolarHBondContact NH2-OD2 2.91Å; Q145-D149 PolarHBondContact NE2-OD1 2.91Å; Q145-D149 WeakPolarHBondContact O-CB 3.3Å; Q145-D149 PolarHBondContact O-N 3Å; T146-D149 PolarHBondContact O-N 2.95Å; D149-E151 PolarHBondContact O-N 3.29Å
150W98.9Very high98.8Very high41 Ų4124 Ų2416%0.15512%0.124CC..THydrogen-bonded Turntrans-78.6-2.5174.4-68.9-16.1000114.3W82 L93 I104 N105 A108 I120 T146 F147 A148 V152W82-W150 AromaticContact CH2-CH2 3.64Å; W82-W150 HydrophobicContact CH2-CH2 3.64Å; W82-W150 AromaticContact CH2-CZ3 3.42Å; W82-W150 HydrophobicContact CH2-CZ3 3.42Å; W82-W150 VanDerWaalsContact CH2-CZ3 3.42Å; W82-W150 HydrophobicContact CZ2-CZ3 4.38Å; W82-W150 AromaticContact CZ3-CH2 3.86Å; W82-W150 HydrophobicContact CZ3-CH2 3.86Å; W82-W150 AromaticContact CZ3-CZ3 3.79Å; W82-W150 HydrophobicContact CZ3-CZ3 3.79Å; L93-W150 HydrophobicContact CB-CH2 4.24Å; L93-W150 VanDerWaalsContact O-CH2 3.28Å; L93-W150 WeakPolarHBondContact O-CH2 3.45Å; L93-W150 VanDerWaalsContact O-CZ2 3.32Å; L93-W150 WeakPolarHBondContact O-CZ2 3.37Å; I104-W150 HydrophobicContact CB-CB 4.37Å; I104-W150 HydrophobicContact CB-CD2 3.75Å; I104-W150 HydrophobicContact CB-CE3 3.6Å; I104-W150 HydrophobicContact CB-CG 4.12Å; I104-W150 HydrophobicContact CB-CZ3 4.11Å; I104-W150 HydrophobicContact CG1-CD2 4.3Å; I104-W150 HydrophobicContact CG1-CE3 3.82Å; I104-W150 HydrophobicContact CG1-CH2 4.23Å; I104-W150 HydrophobicContact CG1-CZ3 3.78Å; I104-W150 HydrophobicContact CG2-CB 4.05Å; I104-W150 HydrophobicContact CG2-CD2 4.08Å; I104-W150 HydrophobicContact CG2-CE3 3.68Å; I104-W150 HydrophobicContact CG2-CG 4.28Å; I104-W150 HydrophobicContact CG2-CZ3 4.41Å; N105-W150 WeakPolarHBondContact CA-O 3.08Å; N105-W150 HydrophobicContact CB-CB 4.36Å; N105-W150 HydrophobicContact CB-CG 4.44Å; N105-W150 PolarHBondContact ND2-O 3.01Å; A108-W150 VanDerWaalsContact CB-O 3.27Å; A108-W150 WeakPolarHBondContact CB-O 3.36Å; I120-W150 HydrophobicContact CD1-CE3 4.17Å; I120-W150 HydrophobicContact CD1-CZ3 4.01Å; T146-W150 HydrophobicContact CG2-CD2 3.9Å; T146-W150 HydrophobicContact CG2-CE3 3.96Å; T146-W150 HydrophobicContact CG2-CH2 3.6Å; T146-W150 HydrophobicContact CG2-CZ2 3.52Å; T146-W150 HydrophobicContact CG2-CZ3 3.81Å; T146-W150 PolarHBondContact O-N 2.95Å; F147-W150 HydrophobicContact CD1-CE3 4.14Å; F147-W150 HydrophobicContact CD1-CZ3 4.2Å; F147-W150 HydrophobicContact CE1-CZ3 4.28Å; F147-W150 PolarHBondContact O-N 3.28Å; A148-W150 VanDerWaalsContact C-N 3.25Å; A148-W150 PolarHBondContact O-N 2.86Å; W150-V152 VanDerWaalsContact C-N 3.35Å; W150-V152 HydrophobicContact CB-CG2 4.26Å
151E98.8Very high98.8Very high51 Ų5130.3 Ų30.324%0.23815%0.148CC..THydrogen-bonded Turntrans6535.1-179.2-50.8176.3-135.800113.1N105 A108 R109 H112 F147 A148 D149 R183N105-E151 PolarHBondContact ND2-OE1 3.5Å; A108-E151 HydrophobicContact CB-CB 4.45Å; R109-E151 IonicContact CZ-OE1 3.15Å; R109-E151 IonicContact NE-OE1 2.9Å; R109-E151 PolarHBondContact NE-OE1 3.25Å; R109-E151 VanDerWaalsContact NE-OE1 3.11Å; R109-E151 IonicContact NH2-OE1 3.13Å; R109-E151 PolarHBondContact NH2-OE1 3.19Å; H112-E151 PolarHBondContact CE1-O 3.22Å; H112-E151 IonicContact ND1-OE2 3.06Å; H112-E151 PolarHBondContact NE2-O 3.26Å; F147-E151 PolarHBondContact O-N 2.89Å; A148-E151 PolarHBondContact O-N 2.86Å; D149-E151 PolarHBondContact O-N 3.29Å; E151-R183 VanDerWaalsContact C-CZ 3.4Å; E151-R183 VanDerWaalsContact CA-CZ 3.41Å; E151-R183 PolarHBondContact O-NH2 2.86Å
152V98.9Very high98.8Very high0 Ų025.8 Ų25.80%013%0.126CC..  trans-68.1145173.71710000111.1I104 I120 F147 W150 M154 R183 I185I104-V152 HydrophobicContact CG2-CG2 4.24Å; I120-V152 HydrophobicContact CB-CG1 4.16Å; I120-V152 HydrophobicContact CB-CG2 4.27Å; I120-V152 HydrophobicContact CG2-CG1 3.73Å; I120-V152 HydrophobicContact CG2-CG2 4.1Å; F147-V152 HydrophobicContact CB-CB 4.11Å; F147-V152 HydrophobicContact CB-CG2 4.21Å; F147-V152 WeakPolarHBondContact O-CB 3.03Å; F147-V152 PolarHBondContact O-N 2.83Å; W150-V152 VanDerWaalsContact C-N 3.35Å; W150-V152 HydrophobicContact CB-CG2 4.26Å; V152-M154 WeakPolarHBondContact CG1-O 3.04Å; V152-R183 WeakPolarHBondContact O-CD 3.37Å; V152-R183 PolarHBondContact O-NE 3.28Å; V152-I185 WeakPolarHBondContact O-CG1 3.35Å
153D98.9Very high98.7Very high13 Ų1327.3 Ų27.37%0.0714%0.135CC..SBendtrans-107.5-19.1-177.7-58.4-68.3000114H112 K117 L118 R183 G186H112-D153 IonicContact CD2-OD2 2.73Å; H112-D153 IonicContact CE1-OD2 2.68Å; H112-D153 IonicContact NE2-OD1 3.38Å; H112-D153 IonicContact NE2-OD2 3.08Å; H112-D153 PolarHBondContact NE2-OD2 3.29Å; K117-D153 VanDerWaalsContact CA-OD2 3.23Å; K117-D153 WeakPolarHBondContact CA-OD2 3.26Å; K117-D153 HydrophobicContact CB-CB 3.77Å; K117-D153 HydrophobicContact CD-CB 4.37Å; K117-D153 HydrophobicContact CG-CB 4.19Å; L118-D153 PolarHBondContact N-OD2 3.46Å; L118-D153 WeakPolarHBondContact O-CA 3.31Å; L118-D153 WeakPolarHBondContact O-CB 3.37Å; L118-D153 PolarHBondContact O-N 3.42Å; D153-R183 IonicContact OD1-CZ 3.8Å; D153-R183 IonicContact OD1-NH2 3.62Å; D153-R183 PolarHBondContact OD1-NH2 3.31Å; D153-G186 PolarHBondContact O-N 3.11Å
154M98.9Very high98.6Very high4 Ų429.7 Ų29.72%0.0216%0.155CC..EExtended strand (participates in β ladder)trans-146.1142.1178.6-177.3174172.800110.9M24 Y75 L118 G119 I120 V152 G186 L213 F283M24-M154 HydrophobicContact CE-CE 4.08Å; M24-M154 HydrophobicContact CE-CG 4.04Å; M24-M154 HydrophobicContact CE-SD 3.65Å; Y75-M154 HydrophobicContact CD1-CB 3.95Å; Y75-M154 HydrophobicContact CD1-SD 4.01Å; Y75-M154 HydrophobicContact CE1-CB 3.94Å; Y75-M154 HydrophobicContact CE1-SD 4.27Å; Y75-M154 HydrophobicContact CG-SD 4.44Å; L118-M154 PolarHBondContact O-N 2.02Å; G119-M154 CarbonylContact C-O 3.13Å; G119-M154 WeakPolarHBondContact CA-O 3.25Å; I120-M154 PolarHBondContact N-O 3.41Å; V152-M154 WeakPolarHBondContact CG1-O 3.04Å; M154-G186 CarbonylContact C-O 3.51Å; M154-G186 VanDerWaalsContact CA-O 3.26Å; M154-G186 WeakPolarHBondContact CA-O 3.38Å; M154-G186 WeakPolarHBondContact CG-O 3.4Å; M154-L213 HydrophobicContact CE-CD1 4.17Å; M154-L213 HydrophobicContact CE-CD2 3.79Å; M154-F283 HydrophobicContact CE-CE2 3.9Å; M154-F283 HydrophobicContact CE-CZ 3.6Å; M154-F283 HydrophobicContact SD-CE1 4.3Å; M154-F283 HydrophobicContact SD-CZ 3.7Å
155F98.9Very high98.5Very high0 Ų034.6 Ų34.60%018%0.184CC..EExtended strand (participates in β ladder)trans-126.7120.1176.5-178.8-126.9000110.2I120 G122 F147 F157 M174 L178 I185 G186 Y187 S188I120-F155 HydrophobicContact CG2-CD2 3.75Å; I120-F155 HydrophobicContact CG2-CE2 4.37Å; I120-F155 WeakPolarHBondContact O-CA 3.32Å; G122-F155 VanDerWaalsContact N-CE2 3.26Å; F147-F155 AromaticContact CD2-CD2 3.99Å; F147-F155 HydrophobicContact CD2-CD2 3.99Å; F147-F155 HydrophobicContact CD2-CE2 4.01Å; F147-F155 HydrophobicContact CD2-CG 4.34Å; F147-F155 HydrophobicContact CD2-CZ 4.39Å; F147-F155 AromaticContact CE2-CD2 3.72Å; F147-F155 HydrophobicContact CE2-CD2 3.72Å; F147-F155 HydrophobicContact CE2-CE1 4.19Å; F147-F155 AromaticContact CE2-CE2 3.26Å; F147-F155 HydrophobicContact CE2-CE2 3.26Å; F147-F155 HydrophobicContact CE2-CG 4.34Å; F147-F155 AromaticContact CE2-CZ 3.54Å; F147-F155 HydrophobicContact CE2-CZ 3.54Å; F147-F155 HydrophobicContact CZ-CD2 4.21Å; F147-F155 AromaticContact CZ-CE2 3.59Å; F147-F155 HydrophobicContact CZ-CE2 3.59Å; F147-F155 HydrophobicContact CZ-CZ 4.13Å; F155-F157 HydrophobicContact CD1-CB 4.11Å; F155-F157 HydrophobicContact CD1-CG 4.48Å; F155-F157 HydrophobicContact CE1-CB 3.62Å; F155-F157 HydrophobicContact CE1-CD1 4.38Å; F155-F157 AromaticContact CE1-CD2 3.37Å; F155-F157 HydrophobicContact CE1-CD2 3.37Å; F155-F157 HydrophobicContact CE1-CE2 4.01Å; F155-F157 AromaticContact CE1-CG 3.57Å; F155-F157 HydrophobicContact CE1-CG 3.57Å; F155-F157 HydrophobicContact CE2-CD2 4.47Å; F155-F157 HydrophobicContact CZ-CB 4.14Å; F155-F157 AromaticContact CZ-CD2 3.31Å; F155-F157 HydrophobicContact CZ-CD2 3.31Å; F155-F157 AromaticContact CZ-CE2 3.86Å; F155-F157 HydrophobicContact CZ-CE2 3.86Å; F155-F157 AromaticContact CZ-CG 3.99Å; F155-F157 HydrophobicContact CZ-CG 3.99Å; F155-M174 HydrophobicContact CD1-CG 4.17Å; F155-M174 HydrophobicContact CD1-SD 4.18Å; F155-M174 HydrophobicContact CE1-CE 3.83Å; F155-M174 HydrophobicContact CE1-CG 3.85Å; F155-M174 HydrophobicContact CE1-SD 3.8Å; F155-M174 HydrophobicContact CZ-CE 4.32Å; F155-L178 HydrophobicContact CD1-CD1 4.2Å; F155-I185 HydrophobicContact CB-CG2 3.91Å; F155-G186 PolarHBondContact N-O 3.02Å; F155-Y187 AromaticContact CD1-CD2 3.94Å; F155-Y187 HydrophobicContact CD1-CD2 3.94Å; F155-Y187 AromaticContact CD1-CE2 3.81Å; F155-Y187 HydrophobicContact CD1-CE2 3.81Å; F155-Y187 HydrophobicContact CE1-CE2 4.24Å; F155-S188 PolarHBondContact O-N 2.76Å
156K98.9Very high98.4Very high15 Ų1534.2 Ų34.27%0.06518%0.182CC..EExtended strand (participates in β ladder)trans-90.9125.8166.5175.3-179.7160.2-162.20108.6L32 D79 I120 Y121 G122 S188L32-K156 HydrophobicContact CD1-CD 4.49Å; D79-K156 VanDerWaalsContact CG-NZ 3.31Å; D79-K156 IonicContact OD1-NZ 3.89Å; D79-K156 PolarHBondContact OD1-NZ 2.87Å; D79-K156 VanDerWaalsContact OD1-NZ 3.16Å; D79-K156 VanDerWaalsContact OD2-CD 3.32Å; D79-K156 WeakPolarHBondContact OD2-CD 3.38Å; D79-K156 WeakPolarHBondContact OD2-CE 3.31Å; D79-K156 IonicContact OD2-NZ 3.44Å; D79-K156 PolarHBondContact OD2-NZ 3.03Å; I120-K156 PolarHBondContact O-N 3.12Å; Y121-K156 WeakPolarHBondContact CA-O 3.48Å; Y121-K156 HydrophobicContact CD2-CB 4.35Å; Y121-K156 HydrophobicContact CD2-CD 3.84Å; Y121-K156 HydrophobicContact CD2-CG 4Å; Y121-K156 HydrophobicContact CE2-CD 4.29Å; G122-K156 PolarHBondContact N-O 3.14Å; K156-S188 WeakPolarHBondContact CA-O 3.29Å
157F98.9Very high98.4Very high0 Ų034.4 Ų34.40%018%0.183CC..EExtended strand (participates in β ladder)trans-118.2104.1-179.4-158.9-143.7000111.2G122 D123 M124 T135 F155 Y171 M174 Y187 S188 S190G122-F157 WeakPolarHBondContact O-CA 3.26Å; D123-F157 WeakPolarHBondContact O-CE2 3.4Å; M124-F157 VanDerWaalsContact CA-CZ 3.45Å; M124-F157 HydrophobicContact CB-CD1 3.95Å; M124-F157 HydrophobicContact CB-CE1 3.47Å; M124-F157 VanDerWaalsContact CB-CE1 3.47Å; M124-F157 HydrophobicContact CB-CE2 4.11Å; M124-F157 HydrophobicContact CB-CZ 3.54Å; M124-F157 HydrophobicContact CG-CE1 3.97Å; M124-F157 HydrophobicContact CG-CZ 4.16Å; M124-F157 HydrophobicContact SD-CE1 3.81Å; M124-F157 HydrophobicContact SD-CZ 3.71Å; T135-F157 HydrophobicContact CG2-CE2 4.19Å; T135-F157 HydrophobicContact CG2-CZ 4.05Å; F155-F157 HydrophobicContact CD1-CB 4.11Å; F155-F157 HydrophobicContact CD1-CG 4.48Å; F155-F157 HydrophobicContact CE1-CB 3.62Å; F155-F157 HydrophobicContact CE1-CD1 4.38Å; F155-F157 AromaticContact CE1-CD2 3.37Å; F155-F157 HydrophobicContact CE1-CD2 3.37Å; F155-F157 HydrophobicContact CE1-CE2 4.01Å; F155-F157 AromaticContact CE1-CG 3.57Å; F155-F157 HydrophobicContact CE1-CG 3.57Å; F155-F157 HydrophobicContact CE2-CD2 4.47Å; F155-F157 HydrophobicContact CZ-CB 4.14Å; F155-F157 AromaticContact CZ-CD2 3.31Å; F155-F157 HydrophobicContact CZ-CD2 3.31Å; F155-F157 AromaticContact CZ-CE2 3.86Å; F155-F157 HydrophobicContact CZ-CE2 3.86Å; F155-F157 AromaticContact CZ-CG 3.99Å; F155-F157 HydrophobicContact CZ-CG 3.99Å; F157-Y171 HydrophobicContact CB-CE1 4.09Å; F157-Y171 AromaticContact CD1-CD1 3.84Å; F157-Y171 HydrophobicContact CD1-CD1 3.84Å; F157-Y171 AromaticContact CD1-CE1 3.77Å; F157-Y171 HydrophobicContact CD1-CE1 3.77Å; F157-Y171 HydrophobicContact CD1-CG 4.5Å; F157-Y171 HydrophobicContact CG-CE1 4.26Å; F157-Y171 VanDerWaalsContact O-CE1 3.24Å; F157-Y171 WeakPolarHBondContact O-CE1 3.36Å; F157-Y171 PolarHBondContact O-OH 3.38Å; F157-M174 HydrophobicContact CD1-CB 4.18Å; F157-M174 HydrophobicContact CD1-CG 4.09Å; F157-M174 HydrophobicContact CE1-CB 3.83Å; F157-M174 HydrophobicContact CE1-CE 4.27Å; F157-M174 HydrophobicContact CE1-CG 4.04Å; F157-M174 HydrophobicContact CE2-CE 4.15Å; F157-M174 HydrophobicContact CZ-CE 3.88Å; F157-Y187 HydrophobicContact CB-CE2 3.62Å; F157-Y187 HydrophobicContact CD1-CE2 4.24Å; F157-Y187 WeakPolarHBondContact CD1-OH 3.48Å; F157-Y187 HydrophobicContact CG-CE2 4.26Å; F157-S188 PolarHBondContact N-O 2.77Å; F157-S190 PolarHBondContact O-N 2.75Å
158D98.8Very high98.3Very high15 Ų1540.1 Ų40.18%0.0821%0.21CC..EExtended strand (participates in β ladder)trans-77.5-175.8179.6-139.3-15.2000111.8Y121 G122 D123 M124 C129 Y171 S190 Y194Y121-D158 HydrophobicContact CE2-CB 3.58Å; Y121-D158 VanDerWaalsContact CE2-OD2 3.3Å; Y121-D158 WeakPolarHBondContact CE2-OD2 3.39Å; Y121-D158 WeakPolarHBondContact OH-CB 3.48Å; Y121-D158 PolarHBondContact OH-OD2 3.23Å; G122-D158 PolarHBondContact O-N 2.88Å; D123-D158 HydrophobicContact CB-CB 4.13Å; M124-D158 WeakPolarHBondContact CB-O 3.2Å; M124-D158 PolarHBondContact N-O 3.35Å; C129-D158 PolarHBondContact SG-OD2 2.59Å; C129-D158 VanDerWaalsContact SG-OD2 3.36Å; D158-Y171 VanDerWaalsContact C-OH 3.24Å; D158-Y171 PolarHBondContact O-OH 2.79Å; D158-S190 WeakPolarHBondContact OD1-CB 3.45Å; D158-S190 PolarHBondContact OD1-OG 3.47Å; D158-Y194 WeakPolarHBondContact OD1-CE2 3.26Å; D158-Y194 VanDerWaalsContact OD1-CZ 3.25Å; D158-Y194 PolarHBondContact OD1-OH 2.84Å
159G98.5Very high98.3Very high1 Ų143.9 Ų43.91%0.0123%0.228CC..  trans-14726.7-174.900000114.9D123 S162 Q167 Y194D123-G159 WeakPolarHBondContact OD1-CA 3.4Å; D123-G159 PolarHBondContact OD1-N 2.77Å; G159-S162 PolarHBondContact O-OG 3.41Å; G159-S162 VanDerWaalsContact O-OG 3.14Å; G159-Q167 PolarHBondContact O-NE2 2.81Å; G159-Y194 VanDerWaalsContact N-CE2 3.33Å; G159-Y194 WeakPolarHBondContact O-CD1 3.33Å; G159-Y194 WeakPolarHBondContact O-CE1 3.41Å
160C98.4Very high98.3Very high28 Ų2840.4 Ų40.419%0.18921%0.209CC..THydrogen-bonded Turntrans-67.8162.1170.3-720000110.5D123 C129 S162 Y194D123-C160 PolarHBondContact OD1-N 3.25Å; D123-C160 VanDerWaalsContact OD2-CB 3.23Å; D123-C160 WeakPolarHBondContact OD2-CB 3.25Å; D123-C160 PolarHBondContact OD2-N 3.08Å; C129-C160 VanDerWaalsContact CA-SG 3.56Å; C129-C160 HydrophobicContact CB-CB 3.95Å; C129-C160 WeakPolarHBondContact CB-SG 3.33Å; C129-C160 WeakPolarHBondContact SG-CB 3.28Å; C129-C160 CovalentContact SG-SG 2.04Å; C129-C160 PolarHBondContact SG-SG 3.3Å; C160-S162 PolarHBondContact O-N 2.96Å; C160-Y194 PolarHBondContact SG-OH 2.85Å
161Y98.5Very high98.3Very high135 Ų13538.4 Ų38.453%0.52920%0.202SC..THydrogen-bonded Turntrans51.731.7174.2-57-85.6000115.5T126 H127 T128T126-Y161 PolarHBondContact N-O 3.09Å; H127-Y161 HydrophobicContact CB-CD2 3.76Å; H127-Y161 HydrophobicContact CB-CE2 4.1Å; H127-Y161 HydrophobicContact CB-CG 4Å; H127-Y161 WeakPolarHBondContact O-CD2 3.38Å; T128-Y161 WeakPolarHBondContact O-CD2 3.4Å; T128-Y161 WeakPolarHBondContact O-CE2 3.39Å
162S98Very high98.3Very high28 Ų2837.6 Ų37.620%0.19620%0.201CC..  trans-136.9164.1170.958.40000111.9M124 G159 C160 E166 Q167M124-S162 WeakPolarHBondContact O-CB 3.44Å; M124-S162 PolarHBondContact O-OG 3.33Å; G159-S162 PolarHBondContact O-OG 3.41Å; G159-S162 VanDerWaalsContact O-OG 3.14Å; C160-S162 PolarHBondContact O-N 2.96Å; S162-E166 VanDerWaalsContact CA-OE2 3.23Å; S162-E166 WeakPolarHBondContact CA-OE2 3.35Å; S162-Q167 WeakPolarHBondContact OG-CG 3.17Å; S162-Q167 PolarHBondContact OG-NE2 2.96Å
163N97.1Very high98.2Very high78 Ų7840.4 Ų40.442%0.41722%0.216SC..  trans-107.1171.2173.671.867.2000112.1V165 E166 Q167N163-V165 VanDerWaalsContact C-N 3.26Å; N163-V165 PolarHBondContact O-N 3.02Å; N163-V165 WeakPolarHBondContact OD1-CA 3.31Å; N163-V165 VanDerWaalsContact OD1-CB 3.28Å; N163-V165 WeakPolarHBondContact OD1-CB 3.46Å; N163-V165 PolarHBondContact OD1-N 2.59Å; N163-E166 PolarHBondContact N-OE2 2.9Å; N163-E166 VanDerWaalsContact ND2-CD 3.25Å; N163-E166 PolarHBondContact ND2-OE2 3.33Å; N163-E166 PolarHBondContact O-N 3.27Å; N163-E166 VanDerWaalsContact O-N 3.13Å; N163-E166 PolarHBondContact OD1-N 3.06Å; N163-Q167 WeakPolarHBondContact O-CG 3.16Å; N163-Q167 PolarHBondContact O-N 2.99Å
164A96.4Very high98.2Very high50 Ų5039.8 Ų39.841%0.41321%0.213SC..Hα-helixtrans-57.5-34.6-176.400000114.1E168A164-E168 WeakPolarHBondContact O-CB 3.45Å; A164-E168 PolarHBondContact O-N 2.8Å
165V97Very high98.2Very high105 Ų10540.3 Ų40.364%0.63622%0.217SC*.Hα-helixtrans-69.8-42.3179-179.70000110.6N163 Q167 E168 L169N163-V165 VanDerWaalsContact C-N 3.26Å; N163-V165 PolarHBondContact O-N 3.02Å; N163-V165 WeakPolarHBondContact OD1-CA 3.31Å; N163-V165 VanDerWaalsContact OD1-CB 3.28Å; N163-V165 WeakPolarHBondContact OD1-CB 3.46Å; N163-V165 PolarHBondContact OD1-N 2.59Å; V165-Q167 VanDerWaalsContact C-N 3.35Å; V165-E168 PolarHBondContact O-N 3.08Å; V165-L169 PolarHBondContact O-N 3.47Å
166E97.8Very high98.2Very high69 Ų6947.6 Ų47.632%0.32225%0.248SC..Hα-helixtrans-64.3-41.8176.5-69.5169.1142.400111.1M124 S162 N163 L169 G170M124-E166 HydrophobicContact CE-CB 4.13Å; S162-E166 VanDerWaalsContact CA-OE2 3.23Å; S162-E166 WeakPolarHBondContact CA-OE2 3.35Å; N163-E166 PolarHBondContact N-OE2 2.9Å; N163-E166 VanDerWaalsContact ND2-CD 3.25Å; N163-E166 PolarHBondContact ND2-OE2 3.33Å; N163-E166 PolarHBondContact O-N 3.27Å; N163-E166 VanDerWaalsContact O-N 3.13Å; N163-E166 PolarHBondContact OD1-N 3.06Å; E166-L169 PolarHBondContact O-N 3.13Å; E166-G170 WeakPolarHBondContact O-CA 3.23Å; E166-G170 PolarHBondContact O-N 3.36Å
167Q97.9Very high98.2Very high4 Ų447.1 Ų47.12%0.01925%0.247CC..Hα-helixtrans-66.3-44.9177.5-65.8174.70.300111.9G159 S162 N163 V165 L169 G170 Y171G159-Q167 PolarHBondContact O-NE2 2.81Å; S162-Q167 WeakPolarHBondContact OG-CG 3.17Å; S162-Q167 PolarHBondContact OG-NE2 2.96Å; N163-Q167 WeakPolarHBondContact O-CG 3.16Å; N163-Q167 PolarHBondContact O-N 2.99Å; V165-Q167 VanDerWaalsContact C-N 3.35Å; Q167-L169 PolarHBondContact O-N 3.1Å; Q167-G170 PolarHBondContact O-N 3.14Å; Q167-Y171 HydrophobicContact CB-CD2 4.1Å; Q167-Y171 HydrophobicContact CB-CE2 4.07Å; Q167-Y171 HydrophobicContact CG-CE2 4.18Å; Q167-Y171 WeakPolarHBondContact O-CD2 3.31Å; Q167-Y171 PolarHBondContact O-N 3.12Å
168E97.3Very high98.2Very high121 Ų12147.5 Ų47.557%0.56525%0.249SC*.Hα-helixtrans-58.8-32.3177.4-174.9174.7-166.800112.6A164 V165 P172 W191A164-E168 WeakPolarHBondContact O-CB 3.45Å; A164-E168 PolarHBondContact O-N 2.8Å; V165-E168 PolarHBondContact O-N 3.08Å; E168-P172 WeakPolarHBondContact O-CD 3.46Å; E168-P172 WeakPolarHBondContact O-CG 3.46Å; E168-W191 HydrophobicContact CB-CZ2 4.04Å; E168-W191 HydrophobicContact CG-CZ2 4.27Å
169L97.8Very high98.2Very high90 Ų9052.5 Ų52.547%0.47128%0.276SS..Hα-helixtrans-83.3-45.9174.8-177.161.9000112.7V137 V165 E166 Q167 P172 L173V137-L169 HydrophobicContact CG1-CD2 3.95Å; V137-L169 HydrophobicContact CG2-CD2 4.18Å; V165-L169 PolarHBondContact O-N 3.47Å; E166-L169 PolarHBondContact O-N 3.13Å; Q167-L169 PolarHBondContact O-N 3.1Å; L169-P172 WeakPolarHBondContact O-CD 3.45Å; L169-L173 HydrophobicContact CD1-CD1 3.8Å; L169-L173 HydrophobicContact CD1-CG 4.18Å; L169-L173 HydrophobicContact CD2-CD1 4.33Å; L169-L173 HydrophobicContact CG-CD1 3.68Å; L169-L173 HydrophobicContact CG-CG 4.39Å; L169-L173 WeakPolarHBondContact O-CB 3.36Å; L169-L173 VanDerWaalsContact O-CG 3.27Å; L169-L173 WeakPolarHBondContact O-CG 3.27Å; L169-L173 PolarHBondContact O-N 3.3Å
170G98.7Very high98.2Very high0 Ų056.3 Ų56.30%031%0.307CS..Hα-helixtrans-71.5-44.3-165.800000114.6M124 E166 Q167 L173 M174M124-G170 VanDerWaalsContact SD-CA 3.58Å; E166-G170 WeakPolarHBondContact O-CA 3.23Å; E166-G170 PolarHBondContact O-N 3.36Å; Q167-G170 PolarHBondContact O-N 3.14Å; G170-L173 PolarHBondContact O-N 2.74Å; G170-M174 WeakPolarHBondContact O-CB 3.45Å; G170-M174 PolarHBondContact O-N 2.93Å
171Y98.9Very high98.2Very high0 Ų056.3 Ų56.30%031%0.306CS..Hα-helixtrans-61.8-47.6179.9-78.3-81.8000112.6M124 F157 D158 Q167 L173 M174 S175 Y187 C189 W191M124-Y171 HydrophobicContact CB-CE2 4.24Å; F157-Y171 HydrophobicContact CB-CE1 4.09Å; F157-Y171 AromaticContact CD1-CD1 3.84Å; F157-Y171 HydrophobicContact CD1-CD1 3.84Å; F157-Y171 AromaticContact CD1-CE1 3.77Å; F157-Y171 HydrophobicContact CD1-CE1 3.77Å; F157-Y171 HydrophobicContact CD1-CG 4.5Å; F157-Y171 HydrophobicContact CG-CE1 4.26Å; F157-Y171 VanDerWaalsContact O-CE1 3.24Å; F157-Y171 WeakPolarHBondContact O-CE1 3.36Å; F157-Y171 PolarHBondContact O-OH 3.38Å; D158-Y171 VanDerWaalsContact C-OH 3.24Å; D158-Y171 PolarHBondContact O-OH 2.79Å; Q167-Y171 HydrophobicContact CB-CD2 4.1Å; Q167-Y171 HydrophobicContact CB-CE2 4.07Å; Q167-Y171 HydrophobicContact CG-CE2 4.18Å; Q167-Y171 WeakPolarHBondContact O-CD2 3.31Å; Q167-Y171 PolarHBondContact O-N 3.12Å; Y171-L173 PolarHBondContact O-N 3.43Å; Y171-M174 PolarHBondContact O-N 2.86Å; Y171-S175 PolarHBondContact O-N 3.22Å; Y171-S175 VanDerWaalsContact O-N 3.11Å; Y171-Y187 VanDerWaalsContact CD1-OH 3.3Å; Y171-Y187 WeakPolarHBondContact CD1-OH 3.39Å; Y171-Y187 PolarHBondContact O-OH 3.43Å; Y171-C189 HydrophobicContact CD1-CB 3.88Å; Y171-C189 HydrophobicContact CE1-CB 3.91Å; Y171-W191 HydrophobicContact CD1-CB 4Å; Y171-W191 HydrophobicContact CD2-CB 3.45Å; Y171-W191 VanDerWaalsContact CD2-CB 3.45Å; Y171-W191 AromaticContact CD2-CD1 3.86Å; Y171-W191 AromaticContact CD2-CD2 3.79Å; Y171-W191 HydrophobicContact CD2-CD2 3.79Å; Y171-W191 HydrophobicContact CD2-CE3 4.24Å; Y171-W191 AromaticContact CD2-CG 3.41Å; Y171-W191 HydrophobicContact CD2-CG 3.41Å; Y171-W191 VanDerWaalsContact CD2-CG 3.41Å; Y171-W191 HydrophobicContact CE1-CB 3.9Å; Y171-W191 HydrophobicContact CE2-CB 3.32Å; Y171-W191 AromaticContact CE2-CD1 3.84Å; Y171-W191 HydrophobicContact CE2-CD2 4.43Å; Y171-W191 AromaticContact CE2-CG 3.59Å; Y171-W191 HydrophobicContact CE2-CG 3.59Å; Y171-W191 HydrophobicContact CG-CB 3.8Å; Y171-W191 HydrophobicContact CG-CD2 4.16Å; Y171-W191 HydrophobicContact CG-CE3 4.15Å; Y171-W191 HydrophobicContact CG-CG 4.02Å; Y171-W191 VanDerWaalsContact CZ-N 3.33Å; Y171-W191 PolarHBondContact OH-N 3.21Å; Y171-W191 VanDerWaalsContact OH-N 3.12Å
172P98.7Very high98.2Very high34 Ų3453.1 Ų53.122%0.22131%0.314CS..Hα-helixtrans-62.4-39.3172.9-24.834.6000113.9E168 L169 S175 K176 I210E168-P172 WeakPolarHBondContact O-CD 3.46Å; E168-P172 WeakPolarHBondContact O-CG 3.46Å; L169-P172 WeakPolarHBondContact O-CD 3.45Å; P172-S175 PolarHBondContact O-N 2.91Å; P172-K176 PolarHBondContact O-N 2.99Å; P172-K176 VanDerWaalsContact O-N 3.08Å; P172-I210 HydrophobicContact CB-CD1 4.42Å; P172-I210 HydrophobicContact CG-CD1 3.9Å
173L98.8Very high98.2Very high59 Ų5954.9 Ų54.931%0.30932%0.316SS..Hα-helixtrans-64.2-42.7178.3-77.8-179.9000111.8V137 I140 L169 G170 Y171 K176 A177V137-L173 HydrophobicContact CG1-CD1 3.92Å; I140-L173 HydrophobicContact CD1-CB 3.71Å; I140-L173 HydrophobicContact CD1-CD1 4.17Å; I140-L173 HydrophobicContact CG2-CB 4.25Å; L169-L173 HydrophobicContact CD1-CD1 3.8Å; L169-L173 HydrophobicContact CD1-CG 4.18Å; L169-L173 HydrophobicContact CD2-CD1 4.33Å; L169-L173 HydrophobicContact CG-CD1 3.68Å; L169-L173 HydrophobicContact CG-CG 4.39Å; L169-L173 WeakPolarHBondContact O-CB 3.36Å; L169-L173 VanDerWaalsContact O-CG 3.27Å; L169-L173 WeakPolarHBondContact O-CG 3.27Å; L169-L173 PolarHBondContact O-N 3.3Å; G170-L173 PolarHBondContact O-N 2.74Å; Y171-L173 PolarHBondContact O-N 3.43Å; L173-K176 WeakPolarHBondContact O-CB 3.43Å; L173-K176 PolarHBondContact O-N 3.46Å; L173-A177 WeakPolarHBondContact O-CB 3.14Å; L173-A177 PolarHBondContact O-N 2.8Å
174M98.9Very high98.3Very high0 Ų055 Ų550%032%0.322CS..Hα-helixtrans-63.3-43.2176.6177.458.372.100111.7T135 I140 A144 F155 F157 G170 Y171 K176 A177 L178 Y187T135-M174 HydrophobicContact CG2-CE 3.84Å; I140-M174 HydrophobicContact CB-CE 4.35Å; I140-M174 HydrophobicContact CG1-CE 4.31Å; I140-M174 HydrophobicContact CG2-CB 4.15Å; I140-M174 HydrophobicContact CG2-CE 4Å; I140-M174 HydrophobicContact CG2-SD 4.33Å; A144-M174 HydrophobicContact CB-SD 4.05Å; F155-M174 HydrophobicContact CD1-CG 4.17Å; F155-M174 HydrophobicContact CD1-SD 4.18Å; F155-M174 HydrophobicContact CE1-CE 3.83Å; F155-M174 HydrophobicContact CE1-CG 3.85Å; F155-M174 HydrophobicContact CE1-SD 3.8Å; F155-M174 HydrophobicContact CZ-CE 4.32Å; F157-M174 HydrophobicContact CD1-CB 4.18Å; F157-M174 HydrophobicContact CD1-CG 4.09Å; F157-M174 HydrophobicContact CE1-CB 3.83Å; F157-M174 HydrophobicContact CE1-CE 4.27Å; F157-M174 HydrophobicContact CE1-CG 4.04Å; F157-M174 HydrophobicContact CE2-CE 4.15Å; F157-M174 HydrophobicContact CZ-CE 3.88Å; G170-M174 WeakPolarHBondContact O-CB 3.45Å; G170-M174 PolarHBondContact O-N 2.93Å; Y171-M174 PolarHBondContact O-N 2.86Å; M174-K176 VanDerWaalsContact C-N 3.3Å; M174-K176 PolarHBondContact O-N 3.12Å; M174-A177 PolarHBondContact O-N 2.9Å; M174-A177 VanDerWaalsContact O-N 3.16Å; M174-L178 HydrophobicContact CG-CD1 4.09Å; M174-L178 HydrophobicContact CG-CG 4.31Å; M174-L178 WeakPolarHBondContact O-CB 3.48Å; M174-L178 VanDerWaalsContact O-CG 3.32Å; M174-L178 WeakPolarHBondContact O-CG 3.47Å; M174-L178 PolarHBondContact O-N 2.85Å; M174-L178 HydrophobicContact SD-CD1 4.2Å; M174-L178 HydrophobicContact SD-CD2 4.21Å; M174-L178 HydrophobicContact SD-CG 3.86Å; M174-Y187 HydrophobicContact CB-CE2 4.49Å; M174-Y187 WeakPolarHBondContact CB-OH 3.32Å; M174-Y187 HydrophobicContact CG-CE2 3.68Å; M174-Y187 WeakPolarHBondContact CG-OH 3.48Å
175S98.8Very high98.4Very high15 Ų1553 Ų5311%0.10530%0.304CS..Hα-helixtrans-55.2-45.9173.3-176.20000112.1Y171 P172 N179 I210Y171-S175 PolarHBondContact O-N 3.22Å; Y171-S175 VanDerWaalsContact O-N 3.11Å; P172-S175 PolarHBondContact O-N 2.91Å; S175-N179 WeakPolarHBondContact O-CB 3.33Å; S175-N179 PolarHBondContact O-N 2.76Å; S175-N179 VanDerWaalsContact O-N 3.12Å; S175-I210 VanDerWaalsContact CB-O 3.31Å; S175-I210 WeakPolarHBondContact CB-O 3.42Å; S175-I210 WeakPolarHBondContact OG-CA 3.49Å; S175-I210 PolarHBondContact OG-O 3.36Å
176K98.6Very high98.5Very high153 Ų15348 Ų4867%0.66527%0.273SS*.Hα-helixtrans-63.9-43.6176-177.3-174.6175.4-170.60112.1P172 L173 M174 N179 A180P172-K176 PolarHBondContact O-N 2.99Å; P172-K176 VanDerWaalsContact O-N 3.08Å; L173-K176 WeakPolarHBondContact O-CB 3.43Å; L173-K176 PolarHBondContact O-N 3.46Å; M174-K176 VanDerWaalsContact C-N 3.3Å; M174-K176 PolarHBondContact O-N 3.12Å; K176-N179 PolarHBondContact O-N 2.98Å; K176-A180 WeakPolarHBondContact O-CB 3.47Å; K176-A180 PolarHBondContact O-N 3.3Å
177A98.9Very high98.5Very high5 Ų544.8 Ų44.84%0.04126%0.259CS..Hα-helixtrans-64.9-46.5-178.800000111.4I140 A144 L173 M174 N179 A180 T181I140-A177 HydrophobicContact CG2-CB 3.69Å; A144-A177 HydrophobicContact CB-CB 3.6Å; L173-A177 WeakPolarHBondContact O-CB 3.14Å; L173-A177 PolarHBondContact O-N 2.8Å; M174-A177 PolarHBondContact O-N 2.9Å; M174-A177 VanDerWaalsContact O-N 3.16Å; A177-N179 VanDerWaalsContact C-N 3.33Å; A177-N179 PolarHBondContact O-N 3.07Å; A177-A180 WeakPolarHBondContact O-CB 3.26Å; A177-A180 PolarHBondContact O-N 3.4Å; A177-A180 VanDerWaalsContact O-N 3.11Å; A177-T181 WeakPolarHBondContact O-CG2 3.28Å; A177-T181 PolarHBondContact O-N 2.92Å
178L98.8Very high98.6Very high7 Ų744.8 Ų44.84%0.03726%0.259CS..Hα-helixtrans-56.3-47.2173.9-69.5171.8000111.2A144 F155 M174 A180 T181 I185 Y187A144-L178 HydrophobicContact CB-CD2 4.08Å; A144-L178 HydrophobicContact CB-CG 4.43Å; F155-L178 HydrophobicContact CD1-CD1 4.2Å; M174-L178 HydrophobicContact CG-CD1 4.09Å; M174-L178 HydrophobicContact CG-CG 4.31Å; M174-L178 WeakPolarHBondContact O-CB 3.48Å; M174-L178 VanDerWaalsContact O-CG 3.32Å; M174-L178 WeakPolarHBondContact O-CG 3.47Å; M174-L178 PolarHBondContact O-N 2.85Å; M174-L178 HydrophobicContact SD-CD1 4.2Å; M174-L178 HydrophobicContact SD-CD2 4.21Å; M174-L178 HydrophobicContact SD-CG 3.86Å; L178-A180 VanDerWaalsContact C-N 3.32Å; L178-A180 PolarHBondContact O-N 2.85Å; L178-T181 WeakPolarHBondContact O-CB 3.37Å; L178-T181 PolarHBondContact O-N 3.2Å; L178-T181 PolarHBondContact O-OG1 2.77Å; L178-I185 HydrophobicContact CD2-CB 4.27Å; L178-I185 HydrophobicContact CD2-CD1 3.82Å; L178-I185 HydrophobicContact CD2-CG2 4.14Å; L178-Y187 HydrophobicContact CD1-CD1 4.46Å; L178-Y187 HydrophobicContact CD1-CD2 3.67Å; L178-Y187 HydrophobicContact CD1-CE2 4.15Å; L178-Y187 HydrophobicContact CD1-CG 3.87Å
179N98.4Very high98.6Very high121 Ų12139 Ų3965%0.64723%0.232SC*.Hα-helixtrans-62.1-38.4177-174.249.9000112.6S175 K176 A177 T181 G182S175-N179 WeakPolarHBondContact O-CB 3.33Å; S175-N179 PolarHBondContact O-N 2.76Å; S175-N179 VanDerWaalsContact O-N 3.12Å; K176-N179 PolarHBondContact O-N 2.98Å; A177-N179 VanDerWaalsContact C-N 3.33Å; A177-N179 PolarHBondContact O-N 3.07Å; N179-T181 PolarHBondContact O-N 3.25Å; N179-G182 PolarHBondContact O-N 2.78Å
180A98.6Very high98.7Very high81 Ų8134.9 Ų34.967%0.66921%0.21SC*.Hα-helixtrans-66.1-22.7179.700000113.5K176 A177 L178 G182K176-A180 WeakPolarHBondContact O-CB 3.47Å; K176-A180 PolarHBondContact O-N 3.3Å; A177-A180 WeakPolarHBondContact O-CB 3.26Å; A177-A180 PolarHBondContact O-N 3.4Å; A177-A180 VanDerWaalsContact O-N 3.11Å; L178-A180 VanDerWaalsContact C-N 3.32Å; L178-A180 PolarHBondContact O-N 2.85Å; A180-G182 PolarHBondContact O-N 3.43Å
181T98.7Very high98.7Very high28 Ų2835.9 Ų35.917%0.17221%0.214CC..THydrogen-bonded Turntrans-66.6-21174.874.20000113.2A144 A148 A177 L178 N179 R183A144-T181 HydrophobicContact CB-CG2 4.33Å; A148-T181 VanDerWaalsContact CB-CB 3.49Å; A148-T181 HydrophobicContact CB-CG2 3.73Å; A177-T181 WeakPolarHBondContact O-CG2 3.28Å; A177-T181 PolarHBondContact O-N 2.92Å; L178-T181 WeakPolarHBondContact O-CB 3.37Å; L178-T181 PolarHBondContact O-N 3.2Å; L178-T181 PolarHBondContact O-OG1 2.77Å; N179-T181 PolarHBondContact O-N 3.25Å; T181-R183 PolarHBondContact O-N 3.38Å; T181-R183 PolarHBondContact OG1-N 2.74Å
182G98Very high98.7Very high67 Ų6736 Ų3669%0.69122%0.215SC*.  trans75.5-5-174.300000114.9N179 A180N179-G182 PolarHBondContact O-N 2.78Å; A180-G182 PolarHBondContact O-N 3.43Å
183R98.3Very high98.7Very high65 Ų6535.9 Ų35.925%0.24522%0.217CC..SBendtrans-88.6127.9172.5-173.9178.6177.188.76.5110A148 E151 V152 D153 T181 I185A148-R183 HydrophobicContact CB-CB 4.13Å; E151-R183 VanDerWaalsContact C-CZ 3.4Å; E151-R183 VanDerWaalsContact CA-CZ 3.41Å; E151-R183 PolarHBondContact O-NH2 2.86Å; V152-R183 WeakPolarHBondContact O-CD 3.37Å; V152-R183 PolarHBondContact O-NE 3.28Å; D153-R183 IonicContact OD1-CZ 3.8Å; D153-R183 IonicContact OD1-NH2 3.62Å; D153-R183 PolarHBondContact OD1-NH2 3.31Å; T181-R183 PolarHBondContact O-N 3.38Å; T181-R183 PolarHBondContact OG1-N 2.74Å; R183-I185 HydrophobicContact CB-CG1 4.38Å; R183-I185 HydrophobicContact CG-CG1 4.13Å; R183-I185 PolarHBondContact O-N 2.78Å
184P98.2Very high98.7Very high81 Ų8137 Ų3753%0.52622%0.218SC..  trans-65.8108.8170.8-20.433000110.8L23L23-P184 HydrophobicContact CD1-CB 3.96Å; L23-P184 HydrophobicContact CD2-CB 4.2Å; L23-P184 HydrophobicContact CG-CB 4.26Å
185I98.9Very high98.6Very high7 Ų738.6 Ų38.64%0.03623%0.225CC..  trans-118.5122.5175.6-60.6175.6000107.9F147 A148 V152 F155 L178 R183F147-I185 HydrophobicContact CB-CD1 4.47Å; A148-I185 HydrophobicContact CB-CD1 4.29Å; V152-I185 WeakPolarHBondContact O-CG1 3.35Å; F155-I185 HydrophobicContact CB-CG2 3.91Å; L178-I185 HydrophobicContact CD2-CB 4.27Å; L178-I185 HydrophobicContact CD2-CD1 3.82Å; L178-I185 HydrophobicContact CD2-CG2 4.14Å; R183-I185 HydrophobicContact CB-CG1 4.38Å; R183-I185 HydrophobicContact CG-CG1 4.13Å; R183-I185 PolarHBondContact O-N 2.78Å
186G98.8Very high98.5Very high0 Ų040.3 Ų40.30%025%0.245CC..EExtended strand (participates in β ladder)trans-67.2132174.400000110.4D153 M154 F155 N212D153-G186 PolarHBondContact O-N 3.11Å; M154-G186 CarbonylContact C-O 3.51Å; M154-G186 VanDerWaalsContact CA-O 3.26Å; M154-G186 WeakPolarHBondContact CA-O 3.38Å; M154-G186 WeakPolarHBondContact CG-O 3.4Å; F155-G186 PolarHBondContact N-O 3.02Å; G186-N212 WeakPolarHBondContact CA-OD1 3.42Å
187Y98.9Very high98.4Very high3 Ų333 Ų331%0.01221%0.213CC..EExtended strand (participates in β ladder)trans-114.3112.1-172.4-172.3-143.1000112.2F155 F157 Y171 M174 L178 C189 I210 C211 N212 L213F155-Y187 AromaticContact CD1-CD2 3.94Å; F155-Y187 HydrophobicContact CD1-CD2 3.94Å; F155-Y187 AromaticContact CD1-CE2 3.81Å; F155-Y187 HydrophobicContact CD1-CE2 3.81Å; F155-Y187 HydrophobicContact CE1-CE2 4.24Å; F157-Y187 HydrophobicContact CB-CE2 3.62Å; F157-Y187 HydrophobicContact CD1-CE2 4.24Å; F157-Y187 WeakPolarHBondContact CD1-OH 3.48Å; F157-Y187 HydrophobicContact CG-CE2 4.26Å; Y171-Y187 VanDerWaalsContact CD1-OH 3.3Å; Y171-Y187 WeakPolarHBondContact CD1-OH 3.39Å; Y171-Y187 PolarHBondContact O-OH 3.43Å; M174-Y187 HydrophobicContact CB-CE2 4.49Å; M174-Y187 WeakPolarHBondContact CB-OH 3.32Å; M174-Y187 HydrophobicContact CG-CE2 3.68Å; M174-Y187 WeakPolarHBondContact CG-OH 3.48Å; L178-Y187 HydrophobicContact CD1-CD1 4.46Å; L178-Y187 HydrophobicContact CD1-CD2 3.67Å; L178-Y187 HydrophobicContact CD1-CE2 4.15Å; L178-Y187 HydrophobicContact CD1-CG 3.87Å; Y187-C189 WeakPolarHBondContact CD1-SG 3.3Å; Y187-C189 WeakPolarHBondContact CE1-SG 3.38Å; Y187-C189 VanDerWaalsContact CZ-SG 3.57Å; Y187-I210 WeakPolarHBondContact CD1-O 3.46Å; Y187-C211 HydrophobicContact CD1-CB 4.49Å; Y187-N212 PolarHBondContact N-OD1 3.39Å; Y187-N212 PolarHBondContact O-N 3.21Å; Y187-L213 PolarHBondContact O-N 3.07Å
188S98.9Very high98.4Very high3 Ų335.1 Ų35.12%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-99.6120.8174.9-179.70000110.4F155 K156 F157 L213F155-S188 PolarHBondContact O-N 2.76Å; K156-S188 WeakPolarHBondContact CA-O 3.29Å; F157-S188 PolarHBondContact N-O 2.77Å; S188-L213 WeakPolarHBondContact CA-O 3.24Å
189C98.9Very high98.4Very high0 Ų038.1 Ų38.10%024%0.244CC..EExtended strand (participates in β ladder)trans-111.1119.7-173.2-59.40000111.9Y171 Y187 W191 C211 L213 W214 R215Y171-C189 HydrophobicContact CD1-CB 3.88Å; Y171-C189 HydrophobicContact CE1-CB 3.91Å; Y187-C189 WeakPolarHBondContact CD1-SG 3.3Å; Y187-C189 WeakPolarHBondContact CE1-SG 3.38Å; Y187-C189 VanDerWaalsContact CZ-SG 3.57Å; C189-W191 PolarHBondContact O-N 3.13Å; C189-C211 HydrophobicContact CB-CB 3.91Å; C189-C211 WeakPolarHBondContact CB-SG 3.18Å; C189-C211 WeakPolarHBondContact SG-CB 3.38Å; C189-C211 CovalentContact SG-SG 2.02Å; C189-C211 PolarHBondContact SG-SG 2.91Å; C189-L213 PolarHBondContact N-O 3.12Å; C189-W214 HydrophobicContact CB-CB 4.31Å; C189-W214 CarbonylContact O-C 3.36Å; C189-W214 WeakPolarHBondContact O-CA 3.43Å; C189-W214 VanDerWaalsContact O-CB 3.3Å; C189-W214 WeakPolarHBondContact O-CB 3.41Å; C189-R215 PolarHBondContact O-N 3.35Å
190S98.8Very high98.3Very high3 Ų338.9 Ų38.92%0.02126%0.255CS..  trans-79.7-3.6173.1-55.50000114.2F157 D158 P192 A193 Y194F157-S190 PolarHBondContact O-N 2.75Å; D158-S190 WeakPolarHBondContact OD1-CB 3.45Å; D158-S190 PolarHBondContact OD1-OG 3.47Å; S190-P192 VanDerWaalsContact C-N 3.34Å; S190-P192 WeakPolarHBondContact O-CD 3.22Å; S190-P192 VanDerWaalsContact O-N 3.09Å; S190-A193 WeakPolarHBondContact O-CB 3.22Å; S190-A193 PolarHBondContact O-N 3.01Å; S190-Y194 WeakPolarHBondContact O-CD2 3.46Å
191W98.7Very high98.2Very high22 Ų2242.1 Ų42.18%0.08325%0.254CS..Hα-helixtrans-43.7-48.3-172.1-169.613000114.8E168 Y171 C189 A193 Y194 Q195 L207 I210E168-W191 HydrophobicContact CB-CZ2 4.04Å; E168-W191 HydrophobicContact CG-CZ2 4.27Å; Y171-W191 HydrophobicContact CD1-CB 4Å; Y171-W191 HydrophobicContact CD2-CB 3.45Å; Y171-W191 VanDerWaalsContact CD2-CB 3.45Å; Y171-W191 AromaticContact CD2-CD1 3.86Å; Y171-W191 AromaticContact CD2-CD2 3.79Å; Y171-W191 HydrophobicContact CD2-CD2 3.79Å; Y171-W191 HydrophobicContact CD2-CE3 4.24Å; Y171-W191 AromaticContact CD2-CG 3.41Å; Y171-W191 HydrophobicContact CD2-CG 3.41Å; Y171-W191 VanDerWaalsContact CD2-CG 3.41Å; Y171-W191 HydrophobicContact CE1-CB 3.9Å; Y171-W191 HydrophobicContact CE2-CB 3.32Å; Y171-W191 AromaticContact CE2-CD1 3.84Å; Y171-W191 HydrophobicContact CE2-CD2 4.43Å; Y171-W191 AromaticContact CE2-CG 3.59Å; Y171-W191 HydrophobicContact CE2-CG 3.59Å; Y171-W191 HydrophobicContact CG-CB 3.8Å; Y171-W191 HydrophobicContact CG-CD2 4.16Å; Y171-W191 HydrophobicContact CG-CE3 4.15Å; Y171-W191 HydrophobicContact CG-CG 4.02Å; Y171-W191 VanDerWaalsContact CZ-N 3.33Å; Y171-W191 PolarHBondContact OH-N 3.21Å; Y171-W191 VanDerWaalsContact OH-N 3.12Å; C189-W191 PolarHBondContact O-N 3.13Å; W191-A193 VanDerWaalsContact C-N 3.33Å; W191-A193 PolarHBondContact O-N 3Å; W191-Y194 PolarHBondContact O-N 2.86Å; W191-Q195 PolarHBondContact O-N 2.92Å; W191-L207 HydrophobicContact CB-CD2 4.46Å; W191-L207 HydrophobicContact CD2-CD2 4.45Å; W191-L207 HydrophobicContact CE3-CD2 3.68Å; W191-L207 HydrophobicContact CZ3-CD2 4.32Å; W191-I210 HydrophobicContact CE3-CD1 4.26Å; W191-I210 HydrophobicContact CZ3-CD1 3.94Å
192P98.7Very high98.1Very high1 Ų141.2 Ų41.21%0.00625%0.248CC..Hα-helixtrans-64.9-36.6-174.9-22.437.5000113S190 Y194 Q195 G196 G197 V202 L207 W214 R215S190-P192 VanDerWaalsContact C-N 3.34Å; S190-P192 WeakPolarHBondContact O-CD 3.22Å; S190-P192 VanDerWaalsContact O-N 3.09Å; P192-Y194 VanDerWaalsContact C-N 3.26Å; P192-Y194 PolarHBondContact O-N 2.84Å; P192-Q195 CarbonylContact O-C 3.54Å; P192-Q195 PolarHBondContact O-N 3.08Å; P192-G196 PolarHBondContact O-N 3.35Å; P192-G196 VanDerWaalsContact O-N 3.12Å; P192-G197 WeakPolarHBondContact O-CA 3.35Å; P192-G197 PolarHBondContact O-N 3.38Å; P192-V202 HydrophobicContact CB-CG1 3.89Å; P192-V202 HydrophobicContact CB-CG2 4.11Å; P192-V202 HydrophobicContact CG-CG1 4.24Å; P192-L207 HydrophobicContact CB-CD1 4.36Å; P192-L207 HydrophobicContact CG-CD1 3.4Å; P192-L207 VanDerWaalsContact CG-CD1 3.4Å; P192-L207 HydrophobicContact CG-CD2 3.98Å; P192-L207 HydrophobicContact CG-CG 4.35Å; P192-W214 HydrophobicContact CG-CB 3.89Å; P192-W214 HydrophobicContact CG-CG 4.18Å; P192-R215 WeakPolarHBondContact CD-O 3.43Å
193A98.6Very high98.2Very high32 Ų3242 Ų4226%0.26424%0.236SC..Hα-helixtrans-58.9-39.2178.400000111.6S190 W191 Q195 G196 R215S190-A193 WeakPolarHBondContact O-CB 3.22Å; S190-A193 PolarHBondContact O-N 3.01Å; W191-A193 VanDerWaalsContact C-N 3.33Å; W191-A193 PolarHBondContact O-N 3Å; A193-Q195 VanDerWaalsContact C-N 3.25Å; A193-Q195 PolarHBondContact O-N 2.89Å; A193-G196 PolarHBondContact O-N 2.85Å; A193-R215 PolarHBondContact N-O 3.05Å; A193-R215 VanDerWaalsContact N-O 3.11Å
194Y98.4Very high98.1Very high84 Ų8439.8 Ų39.833%0.32923%0.229SC..Hα-helixtrans-75-11.8176.5-67-84.6000114C129 D158 G159 C160 S190 W191 P192C129-Y194 PolarHBondContact SG-OH 2.98Å; D158-Y194 WeakPolarHBondContact OD1-CE2 3.26Å; D158-Y194 VanDerWaalsContact OD1-CZ 3.25Å; D158-Y194 PolarHBondContact OD1-OH 2.84Å; G159-Y194 VanDerWaalsContact N-CE2 3.33Å; G159-Y194 WeakPolarHBondContact O-CD1 3.33Å; G159-Y194 WeakPolarHBondContact O-CE1 3.41Å; C160-Y194 PolarHBondContact SG-OH 2.85Å; S190-Y194 WeakPolarHBondContact O-CD2 3.46Å; W191-Y194 PolarHBondContact O-N 2.86Å; P192-Y194 VanDerWaalsContact C-N 3.26Å; P192-Y194 PolarHBondContact O-N 2.84Å
195Q98Very high98.1Very high32 Ų3239.2 Ų39.215%0.1522%0.223CC..THydrogen-bonded Turntrans-109.58.2178.2-63.1-57.1-38.100113.3W191 P192 A193 K201 V202W191-Q195 PolarHBondContact O-N 2.92Å; P192-Q195 CarbonylContact O-C 3.54Å; P192-Q195 PolarHBondContact O-N 3.08Å; A193-Q195 VanDerWaalsContact C-N 3.25Å; A193-Q195 PolarHBondContact O-N 2.89Å; Q195-K201 HydrophobicContact CB-CB 4.33Å; Q195-V202 HydrophobicContact CB-CG2 3.78Å
196G96.1Very high98Very high51 Ų5141.5 Ų41.553%0.52623%0.234SC..THydrogen-bonded Turntrans84.28.5178.700000114.9P192 A193 L198P192-G196 PolarHBondContact O-N 3.35Å; P192-G196 VanDerWaalsContact O-N 3.12Å; A193-G196 PolarHBondContact O-N 2.85Å; G196-L198 VanDerWaalsContact C-N 3.25Å; G196-L198 PolarHBondContact O-N 3.26Å; G196-L198 VanDerWaalsContact O-N 3.14Å
197G97.6Very high98Very high0 Ų041.6 Ų41.60%023%0.234CC..SBendtrans74.8-1.3167.700000116.4P192 Y204 N216P192-G197 WeakPolarHBondContact O-CA 3.35Å; P192-G197 PolarHBondContact O-N 3.38Å; G197-Y204 PolarHBondContact O-OH 3.43Å; G197-N216 VanDerWaalsContact CA-O 3.31Å; G197-N216 WeakPolarHBondContact CA-O 3.4Å
198L98.4Very high97.9Very high50 Ų5041.4 Ų41.426%0.26223%0.234SC..SBendtrans-133.7152.6-172.5-63.5172.5000113.7G196 K201 V202 W233 N237G196-L198 VanDerWaalsContact C-N 3.25Å; G196-L198 PolarHBondContact O-N 3.26Å; G196-L198 VanDerWaalsContact O-N 3.14Å; L198-K201 PolarHBondContact O-N 2.86Å; L198-V202 PolarHBondContact O-N 3.04Å; L198-V202 VanDerWaalsContact O-N 3.08Å; L198-W233 HydrophobicContact CD1-CZ2 4.29Å; L198-W233 HydrophobicContact CD2-CH2 4.18Å; L198-W233 HydrophobicContact CD2-CZ2 4.05Å; L198-W233 HydrophobicContact CG-CH2 4.37Å; L198-W233 HydrophobicContact CG-CZ2 3.84Å; L198-N237 WeakPolarHBondContact CD1-OD1 3.48Å; L198-N237 HydrophobicContact CD2-CB 3.81Å
199P97.5Very high97.9Very high70 Ų7045.7 Ų45.746%0.45525%0.253SS..THydrogen-bonded Turntrans-56.4151.4165.3-23.733.8000112.1V240P199-V240 HydrophobicContact CG-CG1 3.86Å
200P96.5Very high97.8Very high136 Ų13646.6 Ų46.688%0.88326%0.258SS*.THydrogen-bonded Turncis-84.3-8.23.633.8-36.2000114.3V202P200-V202 VanDerWaalsContact C-N 3.31Å; P200-V202 PolarHBondContact O-N 2.95Å
201K96.7Very high97.8Very high149 Ų14946.5 Ų46.565%0.64826%0.257SS*.THydrogen-bonded Turntrans-69.1-30.9-178-68.5-171.5176.9-174.60112.9Q195 L198Q195-K201 HydrophobicContact CB-CB 4.33Å; L198-K201 PolarHBondContact O-N 2.86Å
202V98.3Very high97.8Very high9 Ų945.4 Ų45.46%0.05525%0.253CS..  trans-105.6123.5177.8-178.80000110.2P192 Q195 L198 P200 Y204 L207P192-V202 HydrophobicContact CB-CG1 3.89Å; P192-V202 HydrophobicContact CB-CG2 4.11Å; P192-V202 HydrophobicContact CG-CG1 4.24Å; Q195-V202 HydrophobicContact CB-CG2 3.78Å; L198-V202 PolarHBondContact O-N 3.04Å; L198-V202 VanDerWaalsContact O-N 3.08Å; P200-V202 VanDerWaalsContact C-N 3.31Å; P200-V202 PolarHBondContact O-N 2.95Å; V202-Y204 HydrophobicContact CB-CE2 4.37Å; V202-Y204 HydrophobicContact CG1-CD1 4.36Å; V202-Y204 HydrophobicContact CG1-CD2 4.05Å; V202-Y204 HydrophobicContact CG1-CE1 4.02Å; V202-Y204 HydrophobicContact CG1-CE2 3.71Å; V202-Y204 HydrophobicContact CG1-CG 4.36Å; V202-L207 HydrophobicContact CG1-CD1 3.57Å
203N98.1Very high97.9Very high83 Ų8345.4 Ų45.444%0.44425%0.253SS..  trans-104.896.3172.8-176-8.3000110.9T205 Q206 L207N203-T205 PolarHBondContact O-N 3.08Å; N203-T205 WeakPolarHBondContact OD1-CB 3.42Å; N203-T205 PolarHBondContact OD1-N 2.68Å; N203-Q206 HydrophobicContact CB-CB 4.15Å; N203-Q206 PolarHBondContact O-N 2.87Å; N203-Q206 VanDerWaalsContact O-N 3.12Å; N203-Q206 PolarHBondContact OD1-N 3.11Å; N203-L207 PolarHBondContact O-N 2.99Å
204Y98.1Very high97.9Very high20 Ų2043.9 Ų43.98%0.07824%0.24CC..Hα-helixtrans-64.3-21.8179.1-75.3-70.2000114.8G197 V202 L207 G208 W214 N216 V240 L241 A244G197-Y204 PolarHBondContact O-OH 3.43Å; V202-Y204 HydrophobicContact CB-CE2 4.37Å; V202-Y204 HydrophobicContact CG1-CD1 4.36Å; V202-Y204 HydrophobicContact CG1-CD2 4.05Å; V202-Y204 HydrophobicContact CG1-CE1 4.02Å; V202-Y204 HydrophobicContact CG1-CE2 3.71Å; V202-Y204 HydrophobicContact CG1-CG 4.36Å; Y204-L207 HydrophobicContact CD1-CD1 3.66Å; Y204-L207 HydrophobicContact CE1-CD1 3.87Å; Y204-L207 HydrophobicContact CG-CD1 4.37Å; Y204-G208 PolarHBondContact O-N 3.38Å; Y204-W214 AromaticContact CD1-CE2 3.8Å; Y204-W214 AromaticContact CD1-CZ2 3.97Å; Y204-W214 HydrophobicContact CD1-CZ2 3.97Å; Y204-W214 AromaticContact CD1-NE1 3.56Å; Y204-W214 AromaticContact CE1-CD1 3.71Å; Y204-W214 AromaticContact CE1-NE1 3.29Å; Y204-W214 VanDerWaalsContact CE1-NE1 3.29Å; Y204-N216 VanDerWaalsContact CE1-ND2 3.31Å; Y204-N216 WeakPolarHBondContact CE1-ND2 3.48Å; Y204-N216 PolarHBondContact OH-ND2 2.8Å; Y204-V240 HydrophobicContact CD2-CG1 3.74Å; Y204-V240 HydrophobicContact CE2-CG1 3.73Å; Y204-L241 HydrophobicContact CE1-CD2 4.24Å; Y204-L241 HydrophobicContact CE2-CD2 3.81Å; Y204-L241 VanDerWaalsContact OH-CD2 3.26Å; Y204-L241 WeakPolarHBondContact OH-CD2 3.38Å; Y204-A244 HydrophobicContact CD1-CB 3.95Å; Y204-A244 HydrophobicContact CG-CB 3.85Å
205T97.1Very high97.9Very high68 Ų6840.2 Ų40.242%0.41723%0.226SC..Hα-helixtrans-68.5-42.8173.3-57.30000110.7T16 N203 G208 Q209T16-T205 HydrophobicContact CG2-CG2 3.77Å; N203-T205 PolarHBondContact O-N 3.08Å; N203-T205 WeakPolarHBondContact OD1-CB 3.42Å; N203-T205 PolarHBondContact OD1-N 2.68Å; T205-G208 PolarHBondContact O-N 3.1Å; T205-Q209 WeakPolarHBondContact O-CG 3.15Å; T205-Q209 PolarHBondContact O-N 3.19Å
206Q97.6Very high97.9Very high55 Ų5538.7 Ų38.726%0.25722%0.219SC..Hα-helixtrans-67.9-44.6176.4-176.7-176.714.200111.2N203 G208 Q209 I210N203-Q206 HydrophobicContact CB-CB 4.15Å; N203-Q206 PolarHBondContact O-N 2.87Å; N203-Q206 VanDerWaalsContact O-N 3.12Å; N203-Q206 PolarHBondContact OD1-N 3.11Å; Q206-G208 VanDerWaalsContact C-N 3.27Å; Q206-G208 PolarHBondContact O-N 3.5Å; Q206-Q209 WeakPolarHBondContact O-CA 3.31Å; Q206-Q209 VanDerWaalsContact O-CB 3.32Å; Q206-Q209 WeakPolarHBondContact O-CB 3.28Å; Q206-Q209 PolarHBondContact O-N 3.29Å; Q206-I210 HydrophobicContact CG-CD1 4.46Å; Q206-I210 WeakPolarHBondContact O-CG1 3.4Å; Q206-I210 PolarHBondContact O-N 3.26Å
207L98.1Very high98Very high2 Ų240.3 Ų40.31%0.0121%0.21CC..Hα-helixtrans-56.4-44.7175.7-70.8165.1000111.5W191 P192 V202 N203 Y204 Q209 I210 C211 W214W191-L207 HydrophobicContact CB-CD2 4.46Å; W191-L207 HydrophobicContact CD2-CD2 4.45Å; W191-L207 HydrophobicContact CE3-CD2 3.68Å; W191-L207 HydrophobicContact CZ3-CD2 4.32Å; P192-L207 HydrophobicContact CB-CD1 4.36Å; P192-L207 HydrophobicContact CG-CD1 3.4Å; P192-L207 VanDerWaalsContact CG-CD1 3.4Å; P192-L207 HydrophobicContact CG-CD2 3.98Å; P192-L207 HydrophobicContact CG-CG 4.35Å; V202-L207 HydrophobicContact CG1-CD1 3.57Å; N203-L207 PolarHBondContact O-N 2.99Å; Y204-L207 HydrophobicContact CD1-CD1 3.66Å; Y204-L207 HydrophobicContact CE1-CD1 3.87Å; Y204-L207 HydrophobicContact CG-CD1 4.37Å; L207-Q209 PolarHBondContact O-N 3.39Å; L207-Q209 VanDerWaalsContact O-N 3.15Å; L207-I210 PolarHBondContact O-N 2.63Å; L207-I210 VanDerWaalsContact O-N 3.1Å; L207-C211 WeakPolarHBondContact O-CB 3.35Å; L207-C211 PolarHBondContact O-N 2.99Å; L207-W214 HydrophobicContact CB-CD2 4.06Å; L207-W214 HydrophobicContact CB-CE3 3.8Å; L207-W214 HydrophobicContact CB-CH2 4.39Å; L207-W214 HydrophobicContact CB-CZ3 3.97Å; L207-W214 HydrophobicContact CD1-CD2 4.45Å; L207-W214 HydrophobicContact CD1-CG 4.37Å
208G97.6Very high98Very high0 Ų042.3 Ų42.30%023%0.23CC..Hα-helixtrans-60.1-21.9175.200000114.5A18 L19 Y204 T205 Q206A18-G208 CarbonylContact C-O 3.54Å; A18-G208 WeakPolarHBondContact CA-O 2.73Å; L19-G208 PolarHBondContact N-O 3.01Å; Y204-G208 PolarHBondContact O-N 3.38Å; T205-G208 PolarHBondContact O-N 3.1Å; Q206-G208 VanDerWaalsContact C-N 3.27Å; Q206-G208 PolarHBondContact O-N 3.5Å
209Q97.4Very high98Very high93 Ų9343.4 Ų43.444%0.43524%0.237SC..Hα-helixtrans-86.7-24.9176.7-74.9166.5-6.300113.4F17 L19 T205 Q206 L207F17-Q209 WeakPolarHBondContact O-CG 3.27Å; L19-Q209 WeakPolarHBondContact CA-O 3.41Å; L19-Q209 WeakPolarHBondContact CB-O 3.33Å; T205-Q209 WeakPolarHBondContact O-CG 3.15Å; T205-Q209 PolarHBondContact O-N 3.19Å; Q206-Q209 WeakPolarHBondContact O-CA 3.31Å; Q206-Q209 VanDerWaalsContact O-CB 3.32Å; Q206-Q209 WeakPolarHBondContact O-CB 3.28Å; Q206-Q209 PolarHBondContact O-N 3.29Å; L207-Q209 PolarHBondContact O-N 3.39Å; L207-Q209 VanDerWaalsContact O-N 3.15Å
210I98.4Very high98Very high19 Ų1940.1 Ų40.110%0.09722%0.215CC..Hα-helixtrans-116.9-22.5-169.669.5176.4000113.7P172 S175 Y187 W191 Q206 L207P172-I210 HydrophobicContact CB-CD1 4.42Å; P172-I210 HydrophobicContact CG-CD1 3.9Å; S175-I210 VanDerWaalsContact CB-O 3.31Å; S175-I210 WeakPolarHBondContact CB-O 3.42Å; S175-I210 WeakPolarHBondContact OG-CA 3.49Å; S175-I210 PolarHBondContact OG-O 3.36Å; Y187-I210 WeakPolarHBondContact CD1-O 3.46Å; W191-I210 HydrophobicContact CE3-CD1 4.26Å; W191-I210 HydrophobicContact CZ3-CD1 3.94Å; Q206-I210 HydrophobicContact CG-CD1 4.46Å; Q206-I210 WeakPolarHBondContact O-CG1 3.4Å; Q206-I210 PolarHBondContact O-N 3.26Å; L207-I210 PolarHBondContact O-N 2.63Å; L207-I210 VanDerWaalsContact O-N 3.1Å
211C98.8Very high98.2Very high0 Ų037.5 Ų37.50%019%0.191CC..  trans-122.8149.1-174.3-57.10000111.6Y187 C189 L207 W214Y187-C211 HydrophobicContact CD1-CB 4.49Å; C189-C211 HydrophobicContact CB-CB 3.91Å; C189-C211 WeakPolarHBondContact CB-SG 3.18Å; C189-C211 WeakPolarHBondContact SG-CB 3.38Å; C189-C211 CovalentContact SG-SG 2.02Å; C189-C211 PolarHBondContact SG-SG 2.91Å; L207-C211 WeakPolarHBondContact O-CB 3.35Å; L207-C211 PolarHBondContact O-N 2.99Å; C211-W214 HydrophobicContact CB-CE3 3.93Å; C211-W214 HydrophobicContact CB-CZ3 4.48Å
212N98.9Very high98.3Very high0 Ų032.2 Ų32.20%017%0.17CC..SBendtrans-85-27.6170.9-67.8116.9000113.4N21 M24 G186 Y187 G248 R249 W250N21-N212 PolarHBondContact ND2-ND2 3.27Å; N21-N212 PolarHBondContact ND2-OD1 3.2Å; N21-N212 PolarHBondContact OD1-ND2 2.76Å; M24-N212 HydrophobicContact CB-CB 4.36Å; M24-N212 HydrophobicContact CG-CB 4.31Å; M24-N212 HydrophobicContact SD-CB 3.4Å; M24-N212 WeakPolarHBondContact SD-CB 3.3Å; G186-N212 WeakPolarHBondContact CA-OD1 3.42Å; Y187-N212 PolarHBondContact N-OD1 3.39Å; Y187-N212 PolarHBondContact O-N 3.21Å; N212-G248 VanDerWaalsContact CA-O 3.27Å; N212-G248 WeakPolarHBondContact CA-O 3.33Å; N212-G248 PolarHBondContact ND2-O 3.23Å; N212-R249 CarbonylContact O-C 3.43Å; N212-R249 WeakPolarHBondContact O-CA 3.41Å; N212-W250 PolarHBondContact O-N 3.42Å
213L98.9Very high98.3Very high0 Ų033.3 Ų33.30%018%0.178CC..EExtended strand (participates in β ladder)trans-154.2161.817363.8155.4000109.1M24 P28 M154 Y187 S188 C189 W250 D252 P281 F283M24-L213 HydrophobicContact CE-CD2 3.87Å; M24-L213 HydrophobicContact SD-CD2 3.39Å; M24-L213 WeakPolarHBondContact SD-CD2 3.42Å; P28-L213 HydrophobicContact CG-CD1 4.31Å; P28-L213 HydrophobicContact CG-CD2 4.38Å; M154-L213 HydrophobicContact CE-CD1 4.17Å; M154-L213 HydrophobicContact CE-CD2 3.79Å; Y187-L213 PolarHBondContact O-N 3.07Å; S188-L213 WeakPolarHBondContact CA-O 3.24Å; C189-L213 PolarHBondContact N-O 3.12Å; L213-W250 CarbonylContact C-O 3.33Å; L213-W250 WeakPolarHBondContact CA-O 3.38Å; L213-W250 HydrophobicContact CB-CB 4.06Å; L213-D252 HydrophobicContact CD1-CB 4.25Å; L213-P281 HydrophobicContact CD1-CB 4.46Å; L213-P281 HydrophobicContact CD1-CG 3.73Å; L213-F283 HydrophobicContact CD1-CE2 3.92Å
214W98.9Very high98.3Very high0 Ų031 Ų310%016%0.163CC..EExtended strand (participates in β ladder)trans-147.2135.9179.148.475.9000112.9C189 P192 Y204 L207 C211 N216 A244 R249 W250 N251 D252C189-W214 HydrophobicContact CB-CB 4.31Å; C189-W214 CarbonylContact O-C 3.36Å; C189-W214 WeakPolarHBondContact O-CA 3.43Å; C189-W214 VanDerWaalsContact O-CB 3.3Å; C189-W214 WeakPolarHBondContact O-CB 3.41Å; P192-W214 HydrophobicContact CG-CB 3.89Å; P192-W214 HydrophobicContact CG-CG 4.18Å; Y204-W214 AromaticContact CD1-CE2 3.8Å; Y204-W214 AromaticContact CD1-CZ2 3.97Å; Y204-W214 HydrophobicContact CD1-CZ2 3.97Å; Y204-W214 AromaticContact CD1-NE1 3.56Å; Y204-W214 AromaticContact CE1-CD1 3.71Å; Y204-W214 AromaticContact CE1-NE1 3.29Å; Y204-W214 VanDerWaalsContact CE1-NE1 3.29Å; L207-W214 HydrophobicContact CB-CD2 4.06Å; L207-W214 HydrophobicContact CB-CE3 3.8Å; L207-W214 HydrophobicContact CB-CH2 4.39Å; L207-W214 HydrophobicContact CB-CZ3 3.97Å; L207-W214 HydrophobicContact CD1-CD2 4.45Å; L207-W214 HydrophobicContact CD1-CG 4.37Å; C211-W214 HydrophobicContact CB-CE3 3.93Å; C211-W214 HydrophobicContact CB-CZ3 4.48Å; W214-N216 VanDerWaalsContact CD1-ND2 3.31Å; W214-N216 PolarHBondContact NE1-ND2 3.22Å; W214-N216 PolarHBondContact O-N 3.34Å; W214-N216 PolarHBondContact O-OD1 3.36Å; W214-A244 HydrophobicContact CZ2-CB 4.18Å; W214-R249 HydrophobicContact CH2-CB 3.65Å; W214-R249 HydrophobicContact CH2-CG 4.33Å; W214-R249 HydrophobicContact CZ3-CB 3.74Å; W214-W250 PolarHBondContact N-O 2.98Å; W214-N251 PolarHBondContact NE1-OD1 3.42Å; W214-D252 WeakPolarHBondContact O-CB 3.43Å; W214-D252 PolarHBondContact O-N 3Å
215R98.9Very high98.3Very high8 Ų834.1 Ų34.13%0.0319%0.188CC..EExtended strand (participates in β ladder)trans-73.7118.7172.6-76-75.6-51.9-67.8-22.8109.2C189 P192 A193 Y217 G218 D219 D252 D254C189-R215 PolarHBondContact O-N 3.35Å; P192-R215 WeakPolarHBondContact CD-O 3.43Å; A193-R215 PolarHBondContact N-O 3.05Å; A193-R215 VanDerWaalsContact N-O 3.11Å; R215-Y217 PolarHBondContact NH2-O 3.12Å; R215-G218 PolarHBondContact NH2-O 2.98Å; R215-D219 IonicContact CZ-OD1 2.74Å; R215-D219 IonicContact NH1-OD1 2.74Å; R215-D219 PolarHBondContact NH1-OD1 3.21Å; R215-D219 IonicContact NH2-OD1 3.49Å; R215-D219 PolarHBondContact NH2-OD1 3.05Å; R215-D252 VanDerWaalsContact CD-CG 3.42Å; R215-D252 VanDerWaalsContact CD-OD2 3.22Å; R215-D252 WeakPolarHBondContact CD-OD2 3.48Å; R215-D252 HydrophobicContact CG-CB 4.29Å; R215-D254 IonicContact CZ-OD1 3.05Å; R215-D254 IonicContact CZ-OD2 3.55Å; R215-D254 VanDerWaalsContact CZ-OD2 3.25Å; R215-D254 IonicContact NE-OD1 3.03Å; R215-D254 IonicContact NE-OD2 3.87Å; R215-D254 IonicContact NH1-OD1 3.26Å; R215-D254 PolarHBondContact NH1-OD1 2.77Å; R215-D254 IonicContact NH1-OD2 3.59Å; R215-D254 PolarHBondContact NH1-OD2 2.87Å; R215-D254 IonicContact NH2-OD2 2.69Å
216N98.8Very high98.4Very high0 Ų031.4 Ų31.40%017%0.171CC..  trans-88.3-30.1-175.4-55.381.3000113.5G197 Y204 W214 W233 F234 N251 D252G197-N216 VanDerWaalsContact CA-O 3.31Å; G197-N216 WeakPolarHBondContact CA-O 3.4Å; Y204-N216 VanDerWaalsContact CE1-ND2 3.31Å; Y204-N216 WeakPolarHBondContact CE1-ND2 3.48Å; Y204-N216 PolarHBondContact OH-ND2 2.8Å; W214-N216 VanDerWaalsContact CD1-ND2 3.31Å; W214-N216 PolarHBondContact NE1-ND2 3.22Å; W214-N216 PolarHBondContact O-N 3.34Å; W214-N216 PolarHBondContact O-OD1 3.36Å; N216-W233 HydrophobicContact CB-CH2 3.99Å; N216-W233 HydrophobicContact CB-CZ3 3.68Å; N216-F234 HydrophobicContact CB-CE2 4.1Å; N216-F234 HydrophobicContact CB-CZ 3.73Å; N216-F234 WeakPolarHBondContact OD1-CZ 3.41Å; N216-N251 PolarHBondContact ND2-OD1 2.85Å; N216-N251 WeakPolarHBondContact OD1-CA 3.24Å; N216-N251 WeakPolarHBondContact OD1-CB 3.49Å; N216-D252 PolarHBondContact N-O 3.35Å; N216-D252 PolarHBondContact OD1-N 2.91Å; N216-D252 VanDerWaalsContact OD1-N 3.14Å
217Y98.5Very high98.5Very high84 Ų8428.8 Ų28.833%0.32916%0.159SC..SBendtrans-140.9-179.2-164.1-165.5-122.2000111.6R215 I230 W233R215-Y217 PolarHBondContact NH2-O 3.12Å; Y217-I230 HydrophobicContact CD1-CG1 4.06Å; Y217-W233 HydrophobicContact CD1-CB 4.12Å; Y217-W233 HydrophobicContact CD1-CD2 4.48Å; Y217-W233 HydrophobicContact CD1-CG 4.19Å; Y217-W233 HydrophobicContact CD2-CB 4.46Å; Y217-W233 AromaticContact CD2-CD1 3.67Å; Y217-W233 AromaticContact CD2-CD2 3.61Å; Y217-W233 HydrophobicContact CD2-CD2 3.61Å; Y217-W233 AromaticContact CD2-CE2 3.58Å; Y217-W233 HydrophobicContact CD2-CE3 4.26Å; Y217-W233 AromaticContact CD2-CG 3.68Å; Y217-W233 HydrophobicContact CD2-CG 3.68Å; Y217-W233 HydrophobicContact CD2-CZ2 4.19Å; Y217-W233 AromaticContact CD2-NE1 3.59Å; Y217-W233 HydrophobicContact CE1-CB 3.99Å; Y217-W233 HydrophobicContact CE1-CG 4.17Å; Y217-W233 HydrophobicContact CE2-CB 4.36Å; Y217-W233 AromaticContact CE2-CD1 3.31Å; Y217-W233 HydrophobicContact CE2-CD2 4.09Å; Y217-W233 AromaticContact CE2-CE2 4Å; Y217-W233 AromaticContact CE2-CG 3.68Å; Y217-W233 HydrophobicContact CE2-CG 3.68Å; Y217-W233 AromaticContact CE2-NE1 3.51Å; Y217-W233 HydrophobicContact CG-CB 4.35Å; Y217-W233 AromaticContact CG-CD2 3.84Å; Y217-W233 HydrophobicContact CG-CD2 3.84Å; Y217-W233 HydrophobicContact CG-CE3 4.11Å; Y217-W233 AromaticContact CG-CG 3.95Å; Y217-W233 HydrophobicContact CG-CG 3.95Å; Y217-W233 AromaticContact CZ-CD1 3.73Å; Y217-W233 AromaticContact CZ-CG 3.92Å
218G96.3Very high98.5Very high42 Ų4230.2 Ų30.243%0.43317%0.166SC..PPolyproline II helixtrans-59.7159.7-176.900000114R215R215-G218 PolarHBondContact NH2-O 2.98Å
219D98.4Very high98.6Very high74 Ų7432.7 Ų32.740%0.39618%0.184SC..PPolyproline II helixtrans-62.8136.2-178.6-79.15.5000112.6W34 R215 Q221 D254W34-D219 PolarHBondContact NE1-OD2 3.32Å; R215-D219 IonicContact CZ-OD1 2.74Å; R215-D219 IonicContact NH1-OD1 2.74Å; R215-D219 PolarHBondContact NH1-OD1 3.21Å; R215-D219 IonicContact NH2-OD1 3.49Å; R215-D219 PolarHBondContact NH2-OD1 3.05Å; D219-Q221 PolarHBondContact O-NE2 2.8Å; D219-D254 WeakPolarHBondContact CA-OD2 3.47Å
220I98.8Very high98.6Very high0 Ų028.4 Ų28.40%016%0.164CC..PPolyproline II helixtrans-67.5142.9169.6-157.5166.4000110.5E35 S226 V227 I230 D254 M255 V257 W275E35-I220 HydrophobicContact CG-CG2 4.05Å; I220-S226 WeakPolarHBondContact CA-OG 3.31Å; I220-V227 HydrophobicContact CD1-CG2 4.1Å; I220-I230 HydrophobicContact CB-CD1 3.61Å; I220-I230 HydrophobicContact CD1-CD1 4.01Å; I220-I230 HydrophobicContact CG1-CD1 3.64Å; I220-D254 HydrophobicContact CB-CB 4Å; I220-D254 HydrophobicContact CG2-CB 3.97Å; I220-D254 WeakPolarHBondContact CG2-OD2 3.37Å; I220-D254 PolarHBondContact N-OD2 3.2Å; I220-M255 VanDerWaalsContact CD1-O 3.27Å; I220-M255 WeakPolarHBondContact CD1-O 3.39Å; I220-M255 HydrophobicContact CG2-CB 4.22Å; I220-M255 HydrophobicContact CG2-CE 4.12Å; I220-V257 HydrophobicContact CD1-CG1 4.27Å; I220-V257 HydrophobicContact CD1-CG2 4.43Å; I220-V257 HydrophobicContact CG1-CG1 4.35Å; I220-V257 HydrophobicContact CG2-CG1 4.1Å; I220-W275 HydrophobicContact CD1-CH2 4.25Å; I220-W275 HydrophobicContact CD1-CZ2 3.92Å
221Q98.8Very high98.7Very high82 Ų8227.5 Ų27.538%0.38316%0.16SC..  trans-124.6151.6172.8-51.1-58.6-46.100107.8R38 D219 S223 S226R38-Q221 VanDerWaalsContact NH2-OE1 3.09Å; D219-Q221 PolarHBondContact O-NE2 2.8Å; Q221-S223 PolarHBondContact O-N 3.18Å; Q221-S226 PolarHBondContact N-OG 2.91Å; Q221-S226 VanDerWaalsContact O-CB 3.31Å; Q221-S226 WeakPolarHBondContact O-CB 3.27Å
222D98.8Very high98.7Very high37 Ų3729.2 Ų29.220%0.19817%0.168CC..SBendtrans-65.472.6175.5-170.917.7000113E35 D260 F261 G262E35-D222 WeakPolarHBondContact OE1-CB 3.19Å; E35-D222 PolarHBondContact OE1-N 3.03Å; D222-D260 WeakPolarHBondContact OD2-CB 3.08Å; D222-F261 VanDerWaalsContact OD2-CA 3.3Å; D222-F261 WeakPolarHBondContact OD2-CA 3.4Å; D222-F261 VanDerWaalsContact OD2-CB 3.29Å; D222-F261 WeakPolarHBondContact OD2-CB 3.38Å; D222-F261 PolarHBondContact OD2-N 2.86Å; D222-G262 WeakPolarHBondContact OD1-CA 3.42Å; D222-G262 PolarHBondContact OD1-N 3.38Å; D222-G262 PolarHBondContact OD2-N 2.7Å
223S98.9Very high98.7Very high32 Ų3230.7 Ų30.722%0.22417%0.174CC..SBendtrans-160.3145.1178.664.90000110.9Q221 S225 S226 V227Q221-S223 PolarHBondContact O-N 3.18Å; S223-S225 PolarHBondContact O-N 3.5Å; S223-S225 PolarHBondContact OG-OG 2.94Å; S223-S226 PolarHBondContact O-N 3.01Å; S223-S226 VanDerWaalsContact OG-CB 3.29Å; S223-S226 WeakPolarHBondContact OG-CB 3.43Å; S223-S226 PolarHBondContact OG-N 3.13Å; S223-V227 PolarHBondContact O-N 3.11Å
224W98.8Very high98.7Very high36 Ų3630.7 Ų30.714%0.13617%0.174CC..Hα-helixtrans-61.5-32.9175.7-179.7-126.5000113.5S226 V227 L228 L263 Q267 F343 T393W224-S226 VanDerWaalsContact C-N 3.34Å; W224-S226 PolarHBondContact O-N 3.23Å; W224-V227 HydrophobicContact CE3-CB 3.94Å; W224-V227 HydrophobicContact CE3-CG1 3.94Å; W224-V227 HydrophobicContact CZ3-CB 4.19Å; W224-V227 HydrophobicContact CZ3-CG1 3.65Å; W224-V227 PolarHBondContact O-N 3.06Å; W224-L228 HydrophobicContact CD2-CD1 4.21Å; W224-L228 HydrophobicContact CD2-CG 3.9Å; W224-L228 VanDerWaalsContact CE2-CD1 3.49Å; W224-L228 VanDerWaalsContact CE2-CG 3.47Å; W224-L228 HydrophobicContact CE3-CG 4.36Å; W224-L228 HydrophobicContact CG-CD1 4.44Å; W224-L228 HydrophobicContact CG-CG 4.47Å; W224-L228 HydrophobicContact CH2-CD2 3.68Å; W224-L228 HydrophobicContact CH2-CG 4.07Å; W224-L228 HydrophobicContact CZ2-CD1 3.84Å; W224-L228 HydrophobicContact CZ2-CD2 3.42Å; W224-L228 VanDerWaalsContact CZ2-CD2 3.42Å; W224-L228 HydrophobicContact CZ2-CG 3.59Å; W224-L228 HydrophobicContact CZ3-CD2 4.37Å; W224-L228 HydrophobicContact CZ3-CG 4.43Å; W224-L228 WeakPolarHBondContact O-CB 3.35Å; W224-L228 WeakPolarHBondContact O-CG 3.43Å; W224-L228 PolarHBondContact O-N 3.43Å; W224-L263 HydrophobicContact CB-CD2 4.21Å; W224-L263 HydrophobicContact CE3-CD2 4.28Å; W224-Q267 HydrophobicContact CB-CG 4.42Å; W224-Q267 HydrophobicContact CD2-CB 4.06Å; W224-Q267 HydrophobicContact CD2-CG 3.51Å; W224-Q267 HydrophobicContact CE3-CB 3.59Å; W224-Q267 HydrophobicContact CE3-CG 3.59Å; W224-Q267 VanDerWaalsContact CG-CD 3.48Å; W224-Q267 HydrophobicContact CG-CG 3.9Å; W224-Q267 VanDerWaalsContact CG-NE2 3.32Å; W224-Q267 HydrophobicContact CH2-CG 4.37Å; W224-Q267 HydrophobicContact CZ2-CG 4.28Å; W224-Q267 HydrophobicContact CZ3-CB 3.88Å; W224-Q267 HydrophobicContact CZ3-CG 4.03Å; W224-F343 AromaticContact CH2-CE2 3.83Å; W224-F343 HydrophobicContact CH2-CE2 3.83Å; W224-F343 AromaticContact CH2-CZ 3.95Å; W224-F343 HydrophobicContact CH2-CZ 3.95Å; W224-F343 AromaticContact CZ2-CE2 3.85Å; W224-F343 HydrophobicContact CZ2-CE2 3.85Å; W224-F343 AromaticContact CZ2-CZ 3.73Å; W224-F343 HydrophobicContact CZ2-CZ 3.73Å; W224-T393 HydrophobicContact CZ2-CG2 4.34Å
225S98.8Very high98.7Very high85 Ų8530.9 Ų30.959%0.59418%0.175SC*.Hα-helixtrans-63.3-39.9176.145.80000112.2S223 S229S223-S225 PolarHBondContact O-N 3.5Å; S223-S225 PolarHBondContact OG-OG 2.94Å; S225-S229 WeakPolarHBondContact O-CB 3.48Å; S225-S229 PolarHBondContact O-N 2.88Å; S225-S229 PolarHBondContact O-OG 3.19Å
226S98.9Very high98.6Very high11 Ų1136 Ų368%0.07720%0.199CC..Hα-helixtrans-64.2-52.3175.9-177.90000111.1I220 Q221 S223 W224 L228 S229 I230I220-S226 WeakPolarHBondContact CA-OG 3.31Å; Q221-S226 PolarHBondContact N-OG 2.91Å; Q221-S226 VanDerWaalsContact O-CB 3.31Å; Q221-S226 WeakPolarHBondContact O-CB 3.27Å; S223-S226 PolarHBondContact O-N 3.01Å; S223-S226 VanDerWaalsContact OG-CB 3.29Å; S223-S226 WeakPolarHBondContact OG-CB 3.43Å; S223-S226 PolarHBondContact OG-N 3.13Å; W224-S226 VanDerWaalsContact C-N 3.34Å; W224-S226 PolarHBondContact O-N 3.23Å; S226-L228 VanDerWaalsContact C-N 3.29Å; S226-L228 PolarHBondContact O-N 3.2Å; S226-S229 PolarHBondContact O-N 2.9Å; S226-S229 VanDerWaalsContact O-N 3.12Å; S226-S229 PolarHBondContact O-OG 3.44Å; S226-I230 WeakPolarHBondContact O-CG1 3.4Å; S226-I230 PolarHBondContact O-N 3.36Å
227V98.9Very high98.6Very high0 Ų037.9 Ų37.90%021%0.209CC..Hα-helixtrans-51.7-481761750000111.6I220 S223 W224 A231 V257 L263 Q271 W275I220-V227 HydrophobicContact CD1-CG2 4.1Å; S223-V227 PolarHBondContact O-N 3.11Å; W224-V227 HydrophobicContact CE3-CB 3.94Å; W224-V227 HydrophobicContact CE3-CG1 3.94Å; W224-V227 HydrophobicContact CZ3-CB 4.19Å; W224-V227 HydrophobicContact CZ3-CG1 3.65Å; W224-V227 PolarHBondContact O-N 3.06Å; V227-A231 WeakPolarHBondContact O-CB 3.33Å; V227-A231 PolarHBondContact O-N 3.4Å; V227-V257 HydrophobicContact CG2-CG2 4.25Å; V227-L263 HydrophobicContact CG2-CD1 4.07Å; V227-L263 HydrophobicContact CG2-CD2 3.94Å; V227-Q271 HydrophobicContact CG1-CB 4.17Å; V227-Q271 HydrophobicContact CG1-CG 4.13Å; V227-W275 HydrophobicContact CG1-CH2 4.01Å; V227-W275 HydrophobicContact CG1-CZ3 3.86Å
228L98.5Very high98.7Very high31 Ų3135.2 Ų35.216%0.16220%0.2CC..Hα-helixtrans-65.4-43.9179.3-79.9-173.4000113.1W224 S226 I230 A231 D232 F343W224-L228 HydrophobicContact CD2-CD1 4.21Å; W224-L228 HydrophobicContact CD2-CG 3.9Å; W224-L228 VanDerWaalsContact CE2-CD1 3.49Å; W224-L228 VanDerWaalsContact CE2-CG 3.47Å; W224-L228 HydrophobicContact CE3-CG 4.36Å; W224-L228 HydrophobicContact CG-CD1 4.44Å; W224-L228 HydrophobicContact CG-CG 4.47Å; W224-L228 HydrophobicContact CH2-CD2 3.68Å; W224-L228 HydrophobicContact CH2-CG 4.07Å; W224-L228 HydrophobicContact CZ2-CD1 3.84Å; W224-L228 HydrophobicContact CZ2-CD2 3.42Å; W224-L228 VanDerWaalsContact CZ2-CD2 3.42Å; W224-L228 HydrophobicContact CZ2-CG 3.59Å; W224-L228 HydrophobicContact CZ3-CD2 4.37Å; W224-L228 HydrophobicContact CZ3-CG 4.43Å; W224-L228 WeakPolarHBondContact O-CB 3.35Å; W224-L228 WeakPolarHBondContact O-CG 3.43Å; W224-L228 PolarHBondContact O-N 3.43Å; S226-L228 VanDerWaalsContact C-N 3.29Å; S226-L228 PolarHBondContact O-N 3.2Å; L228-I230 VanDerWaalsContact C-N 3.28Å; L228-I230 PolarHBondContact O-N 2.93Å; L228-A231 PolarHBondContact O-N 3.11Å; L228-D232 WeakPolarHBondContact O-CB 3.31Å; L228-D232 PolarHBondContact O-N 3.05Å; L228-F343 HydrophobicContact CD2-CE1 4.09Å; L228-F343 HydrophobicContact CD2-CZ 3.73Å
229S98.8Very high98.8Very high52 Ų5239.2 Ų39.236%0.36421%0.211SC..Hα-helixtrans-61.4-38.1-179.870.50000112.4S225 S226 W233S225-S229 WeakPolarHBondContact O-CB 3.48Å; S225-S229 PolarHBondContact O-N 2.88Å; S225-S229 PolarHBondContact O-OG 3.19Å; S226-S229 PolarHBondContact O-N 2.9Å; S226-S229 VanDerWaalsContact O-N 3.12Å; S226-S229 PolarHBondContact O-OG 3.44Å; S229-W233 WeakPolarHBondContact O-CB 3.47Å; S229-W233 PolarHBondContact O-N 3.34Å
230I98.9Very high98.8Very high3 Ų338.1 Ų38.12%0.01521%0.207CC..Hα-helixtrans-67.3-52.3175.1-69.1167000109.8Y217 I220 S226 L228 D232 W233 F234 P253 W275Y217-I230 HydrophobicContact CD1-CG1 4.06Å; I220-I230 HydrophobicContact CB-CD1 3.61Å; I220-I230 HydrophobicContact CD1-CD1 4.01Å; I220-I230 HydrophobicContact CG1-CD1 3.64Å; S226-I230 WeakPolarHBondContact O-CG1 3.4Å; S226-I230 PolarHBondContact O-N 3.36Å; L228-I230 VanDerWaalsContact C-N 3.28Å; L228-I230 PolarHBondContact O-N 2.93Å; I230-D232 VanDerWaalsContact C-N 3.28Å; I230-D232 PolarHBondContact O-N 2.83Å; I230-W233 PolarHBondContact O-N 3Å; I230-F234 HydrophobicContact CG2-CD2 4Å; I230-F234 HydrophobicContact CG2-CE2 4.12Å; I230-F234 WeakPolarHBondContact O-CD2 3.47Å; I230-F234 PolarHBondContact O-N 3.38Å; I230-P253 HydrophobicContact CG2-CB 3.69Å; I230-P253 WeakPolarHBondContact CG2-O 3.4Å; I230-W275 HydrophobicContact CG2-CH2 4.13Å; I230-W275 HydrophobicContact CG2-CZ2 4.27Å
231A98.8Very high98.8Very high1 Ų138.1 Ų38.11%0.00821%0.207CC..Hα-helixtrans-57.8-43.1179.800000111.3V227 L228 F234 F235 L274V227-A231 WeakPolarHBondContact O-CB 3.33Å; V227-A231 PolarHBondContact O-N 3.4Å; L228-A231 PolarHBondContact O-N 3.11Å; A231-F234 PolarHBondContact O-N 3.32Å; A231-F235 HydrophobicContact CB-CD2 4.38Å; A231-F235 HydrophobicContact CB-CE2 4.45Å; A231-F235 WeakPolarHBondContact O-CB 3.45Å; A231-F235 WeakPolarHBondContact O-CD2 3.42Å; A231-F235 PolarHBondContact O-N 2.92Å; A231-L274 HydrophobicContact CB-CD1 4.21Å
232D98.8Very high98.7Very high35 Ų3534.8 Ų34.819%0.18719%0.193CC..Hα-helixtrans-58.8-52.6175.7-84.5-36.7000112.2L228 I230 F234 F235 E236 R318 R345L228-D232 WeakPolarHBondContact O-CB 3.31Å; L228-D232 PolarHBondContact O-N 3.05Å; I230-D232 VanDerWaalsContact C-N 3.28Å; I230-D232 PolarHBondContact O-N 2.83Å; D232-F234 VanDerWaalsContact C-N 3.29Å; D232-F234 PolarHBondContact O-N 2.82Å; D232-F235 PolarHBondContact O-N 2.95Å; D232-E236 VanDerWaalsContact O-CB 3.26Å; D232-E236 WeakPolarHBondContact O-CB 3.4Å; D232-E236 WeakPolarHBondContact O-CG 3.33Å; D232-E236 PolarHBondContact O-N 3.18Å; D232-R318 IonicContact OD1-NH1 3.94Å; D232-R345 VanDerWaalsContact CG-NH1 3.28Å; D232-R345 IonicContact OD1-CZ 3.47Å; D232-R345 IonicContact OD1-NH1 2.91Å; D232-R345 PolarHBondContact OD1-NH1 3.4Å; D232-R345 VanDerWaalsContact OD1-NH1 3.13Å; D232-R345 IonicContact OD1-NH2 3.97Å; D232-R345 PolarHBondContact OD1-NH2 3.03Å; D232-R345 IonicContact OD2-CZ 3.72Å; D232-R345 IonicContact OD2-NH1 3.76Å; D232-R345 PolarHBondContact OD2-NH1 3.31Å; D232-R345 IonicContact OD2-NH2 3.02Å
233W98.9Very high98.7Very high31 Ų3137.3 Ų37.312%0.11721%0.212CC..Hα-helixtrans-58.4-43.4-179.7-171.895000111.5L198 N216 Y217 S229 I230 N237 L241L198-W233 HydrophobicContact CD1-CZ2 4.29Å; L198-W233 HydrophobicContact CD2-CH2 4.18Å; L198-W233 HydrophobicContact CD2-CZ2 4.05Å; L198-W233 HydrophobicContact CG-CH2 4.37Å; L198-W233 HydrophobicContact CG-CZ2 3.84Å; N216-W233 HydrophobicContact CB-CH2 3.99Å; N216-W233 HydrophobicContact CB-CZ3 3.68Å; Y217-W233 HydrophobicContact CD1-CB 4.12Å; Y217-W233 HydrophobicContact CD1-CD2 4.48Å; Y217-W233 HydrophobicContact CD1-CG 4.19Å; Y217-W233 HydrophobicContact CD2-CB 4.46Å; Y217-W233 AromaticContact CD2-CD1 3.67Å; Y217-W233 AromaticContact CD2-CD2 3.61Å; Y217-W233 HydrophobicContact CD2-CD2 3.61Å; Y217-W233 AromaticContact CD2-CE2 3.58Å; Y217-W233 HydrophobicContact CD2-CE3 4.26Å; Y217-W233 AromaticContact CD2-CG 3.68Å; Y217-W233 HydrophobicContact CD2-CG 3.68Å; Y217-W233 HydrophobicContact CD2-CZ2 4.19Å; Y217-W233 AromaticContact CD2-NE1 3.59Å; Y217-W233 HydrophobicContact CE1-CB 3.99Å; Y217-W233 HydrophobicContact CE1-CG 4.17Å; Y217-W233 HydrophobicContact CE2-CB 4.36Å; Y217-W233 AromaticContact CE2-CD1 3.31Å; Y217-W233 HydrophobicContact CE2-CD2 4.09Å; Y217-W233 AromaticContact CE2-CE2 4Å; Y217-W233 AromaticContact CE2-CG 3.68Å; Y217-W233 HydrophobicContact CE2-CG 3.68Å; Y217-W233 AromaticContact CE2-NE1 3.51Å; Y217-W233 HydrophobicContact CG-CB 4.35Å; Y217-W233 AromaticContact CG-CD2 3.84Å; Y217-W233 HydrophobicContact CG-CD2 3.84Å; Y217-W233 HydrophobicContact CG-CE3 4.11Å; Y217-W233 AromaticContact CG-CG 3.95Å; Y217-W233 HydrophobicContact CG-CG 3.95Å; Y217-W233 AromaticContact CZ-CD1 3.73Å; Y217-W233 AromaticContact CZ-CG 3.92Å; S229-W233 WeakPolarHBondContact O-CB 3.47Å; S229-W233 PolarHBondContact O-N 3.34Å; I230-W233 PolarHBondContact O-N 3Å; W233-N237 WeakPolarHBondContact O-CB 3.28Å; W233-N237 PolarHBondContact O-N 3.49Å; W233-N237 VanDerWaalsContact O-N 3.11Å; W233-N237 PolarHBondContact O-ND2 3.3Å; W233-L241 HydrophobicContact CE3-CD1 4.09Å; W233-L241 HydrophobicContact CH2-CD1 4.28Å; W233-L241 HydrophobicContact CH2-CD2 4.47Å; W233-L241 HydrophobicContact CZ3-CD1 3.52Å; W233-L241 HydrophobicContact CZ3-CD2 4.37Å
234F98.9Very high98.7Very high1 Ų136.3 Ų36.30%0.00421%0.205CC..Hα-helixtrans-63.6-47.4177.8-91.2-110.2000112.6N216 I230 A231 D232 N237 Q238 L241 N251 P253 M278N216-F234 HydrophobicContact CB-CE2 4.1Å; N216-F234 HydrophobicContact CB-CZ 3.73Å; N216-F234 WeakPolarHBondContact OD1-CZ 3.41Å; I230-F234 HydrophobicContact CG2-CD2 4Å; I230-F234 HydrophobicContact CG2-CE2 4.12Å; I230-F234 WeakPolarHBondContact O-CD2 3.47Å; I230-F234 PolarHBondContact O-N 3.38Å; A231-F234 PolarHBondContact O-N 3.32Å; D232-F234 VanDerWaalsContact C-N 3.29Å; D232-F234 PolarHBondContact O-N 2.82Å; F234-N237 CarbonylContact O-C 3.48Å; F234-N237 PolarHBondContact O-N 3.15Å; F234-Q238 PolarHBondContact O-N 3.36Å; F234-Q238 VanDerWaalsContact O-N 3.08Å; F234-L241 HydrophobicContact CB-CD1 4.44Å; F234-L241 HydrophobicContact CD1-CD1 3.99Å; F234-L241 HydrophobicContact CE1-CD1 4.44Å; F234-L241 HydrophobicContact CG-CD1 4.15Å; F234-N251 HydrophobicContact CE1-CB 3.79Å; F234-P253 HydrophobicContact CD1-CB 4.32Å; F234-P253 HydrophobicContact CD2-CB 4.16Å; F234-P253 HydrophobicContact CE1-CB 3.86Å; F234-P253 HydrophobicContact CE1-CG 4.37Å; F234-P253 HydrophobicContact CE2-CB 3.72Å; F234-P253 HydrophobicContact CG-CB 4.46Å; F234-P253 VanDerWaalsContact CZ-CA 3.41Å; F234-P253 HydrophobicContact CZ-CB 3.56Å; F234-P253 HydrophobicContact CZ-CG 4.42Å; F234-M278 HydrophobicContact CB-SD 3.65Å; F234-M278 HydrophobicContact CD1-SD 3.73Å; F234-M278 HydrophobicContact CG-SD 3.83Å
235F98.7Very high98.7Very high3 Ų335.1 Ų35.11%0.01320%0.204CC..Hα-helixtrans-80.3-15.2-177.2-69.1-62.9000114.1A231 D232 Q238 L274 I277 M278 R318 F329A231-F235 HydrophobicContact CB-CD2 4.38Å; A231-F235 HydrophobicContact CB-CE2 4.45Å; A231-F235 WeakPolarHBondContact O-CB 3.45Å; A231-F235 WeakPolarHBondContact O-CD2 3.42Å; A231-F235 PolarHBondContact O-N 2.92Å; D232-F235 PolarHBondContact O-N 2.95Å; F235-Q238 VanDerWaalsContact O-CG 3.31Å; F235-Q238 WeakPolarHBondContact O-CG 3.49Å; F235-L274 HydrophobicContact CE2-CB 4.5Å; F235-L274 HydrophobicContact CE2-CD2 4.08Å; F235-L274 HydrophobicContact CZ-CD2 4.42Å; F235-I277 HydrophobicContact CE1-CG2 4.04Å; F235-I277 HydrophobicContact CZ-CG2 3.95Å; F235-M278 HydrophobicContact CE1-CG 3.97Å; F235-M278 HydrophobicContact CE2-CG 4.12Å; F235-M278 HydrophobicContact CE2-SD 4.06Å; F235-M278 HydrophobicContact CZ-CG 3.51Å; F235-M278 HydrophobicContact CZ-SD 4.06Å; F235-R318 VanDerWaalsContact C-NH2 3.31Å; F235-R318 HydrophobicContact CB-CB 4.13Å; F235-R318 HydrophobicContact CD1-CB 4.06Å; F235-R318 HydrophobicContact CG-CB 4.25Å; F235-R318 PolarHBondContact O-NH2 3.18Å; F235-R318 VanDerWaalsContact O-NH2 3.09Å; F235-F329 HydrophobicContact CB-CE1 4.25Å; F235-F329 AromaticContact CD1-CD1 3.8Å; F235-F329 HydrophobicContact CD1-CD1 3.8Å; F235-F329 AromaticContact CD1-CE1 3.77Å; F235-F329 HydrophobicContact CD1-CE1 3.77Å; F235-F329 HydrophobicContact CD2-CD1 4.01Å; F235-F329 AromaticContact CD2-CE1 3.29Å; F235-F329 HydrophobicContact CD2-CE1 3.29Å; F235-F329 HydrophobicContact CD2-CZ 4.08Å; F235-F329 AromaticContact CE1-CD1 3.51Å; F235-F329 HydrophobicContact CE1-CD1 3.51Å; F235-F329 AromaticContact CE1-CE1 3.83Å; F235-F329 HydrophobicContact CE1-CE1 3.83Å; F235-F329 AromaticContact CE2-CD1 3.75Å; F235-F329 HydrophobicContact CE2-CD1 3.75Å; F235-F329 AromaticContact CE2-CE1 3.37Å; F235-F329 HydrophobicContact CE2-CE1 3.37Å; F235-F329 HydrophobicContact CE2-CZ 4.12Å; F235-F329 HydrophobicContact CG-CD1 4.05Å; F235-F329 AromaticContact CG-CE1 3.51Å; F235-F329 HydrophobicContact CG-CE1 3.51Å; F235-F329 AromaticContact CZ-CD1 3.48Å; F235-F329 HydrophobicContact CZ-CD1 3.48Å; F235-F329 VanDerWaalsContact CZ-CD1 3.48Å; F235-F329 AromaticContact CZ-CE1 3.64Å; F235-F329 HydrophobicContact CZ-CE1 3.64Å; F235-F329 HydrophobicContact CZ-CG 4.42Å
236E98.7Very high98.6Very high117 Ų11731.4 Ų31.455%0.54718%0.178SC..Hα-helixtrans-79.4-31.9168-73.1176.6174.900111.6D232 K321D232-E236 VanDerWaalsContact O-CB 3.26Å; D232-E236 WeakPolarHBondContact O-CB 3.4Å; D232-E236 WeakPolarHBondContact O-CG 3.33Å; D232-E236 PolarHBondContact O-N 3.18Å; E236-K321 IonicContact OE1-NZ 3.69Å
237N98.8Very high98.6Very high38 Ų3833.2 Ų33.220%0.20319%0.19CC..SBendtrans-10015.3179.1-63.6-70.4000113.7L198 W233 F234 D239 V240 L241L198-N237 WeakPolarHBondContact CD1-OD1 3.48Å; L198-N237 HydrophobicContact CD2-CB 3.81Å; W233-N237 WeakPolarHBondContact O-CB 3.28Å; W233-N237 PolarHBondContact O-N 3.49Å; W233-N237 VanDerWaalsContact O-N 3.11Å; W233-N237 PolarHBondContact O-ND2 3.3Å; F234-N237 CarbonylContact O-C 3.48Å; F234-N237 PolarHBondContact O-N 3.15Å; N237-D239 PolarHBondContact O-N 3.48Å; N237-D239 VanDerWaalsContact O-N 3.09Å; N237-V240 PolarHBondContact O-N 2.8Å; N237-L241 HydrophobicContact CB-CD1 3.95Å; N237-L241 HydrophobicContact CB-CG 4.22Å; N237-L241 WeakPolarHBondContact O-CG 3.45Å; N237-L241 PolarHBondContact O-N 3.34Å; N237-L241 VanDerWaalsContact O-N 3.12Å
238Q98.7Very high98.6Very high29 Ų2933.2 Ų33.214%0.13619%0.19CC..Hα-helixtrans-60.2-23.6-172.159174.7-1.400115.3F234 F235 V240 A242 R317 R318F234-Q238 PolarHBondContact O-N 3.36Å; F234-Q238 VanDerWaalsContact O-N 3.08Å; F235-Q238 VanDerWaalsContact O-CG 3.31Å; F235-Q238 WeakPolarHBondContact O-CG 3.49Å; Q238-V240 PolarHBondContact O-N 3.05Å; Q238-A242 WeakPolarHBondContact O-CB 3.29Å; Q238-A242 PolarHBondContact O-N 3.3Å; Q238-A242 VanDerWaalsContact O-N 3.08Å; Q238-R317 PolarHBondContact O-NH1 3.43Å; Q238-R317 VanDerWaalsContact OE1-CA 3.27Å; Q238-R317 VanDerWaalsContact OE1-CB 3.3Å; Q238-R318 PolarHBondContact NE2-O 3.49Å; Q238-R318 VanDerWaalsContact NE2-O 3.11Å
239D98.6Very high98.6Very high125 Ų12534.2 Ų34.267%0.66819%0.192SC*.Hα-helixtrans-66.9-27.2175.9-71.9-32.7000112.6N237 P243 R317N237-D239 PolarHBondContact O-N 3.48Å; N237-D239 VanDerWaalsContact O-N 3.09Å; D239-P243 WeakPolarHBondContact O-CG 3.27Å; D239-R317 IonicContact OD1-CZ 3.61Å; D239-R317 IonicContact OD1-NH1 2.64Å; D239-R317 IonicContact OD1-NH2 4Å; D239-R317 PolarHBondContact OD1-NH2 3.16Å
240V98.4Very high98.6Very high52 Ų5231.8 Ų31.832%0.31517%0.174SC..Hα-helixtrans-90.9-46.4175.1176.40000110.5P199 Y204 N237 Q238 P243P199-V240 HydrophobicContact CG-CG1 3.86Å; Y204-V240 HydrophobicContact CD2-CG1 3.74Å; Y204-V240 HydrophobicContact CE2-CG1 3.73Å; N237-V240 PolarHBondContact O-N 2.8Å; Q238-V240 PolarHBondContact O-N 3.05Å; V240-P243 WeakPolarHBondContact O-CD 3.46Å
241L98.8Very high98.6Very high0 Ų031.7 Ų31.70%017%0.174CC..Hα-helixtrans-78-46.8-167.9-58.1178000113Y204 W233 F234 N237 A244 A245 N251Y204-L241 HydrophobicContact CE1-CD2 4.24Å; Y204-L241 HydrophobicContact CE2-CD2 3.81Å; Y204-L241 VanDerWaalsContact OH-CD2 3.26Å; Y204-L241 WeakPolarHBondContact OH-CD2 3.38Å; W233-L241 HydrophobicContact CE3-CD1 4.09Å; W233-L241 HydrophobicContact CH2-CD1 4.28Å; W233-L241 HydrophobicContact CH2-CD2 4.47Å; W233-L241 HydrophobicContact CZ3-CD1 3.52Å; W233-L241 HydrophobicContact CZ3-CD2 4.37Å; F234-L241 HydrophobicContact CB-CD1 4.44Å; F234-L241 HydrophobicContact CD1-CD1 3.99Å; F234-L241 HydrophobicContact CE1-CD1 4.44Å; F234-L241 HydrophobicContact CG-CD1 4.15Å; N237-L241 HydrophobicContact CB-CD1 3.95Å; N237-L241 HydrophobicContact CB-CG 4.22Å; N237-L241 WeakPolarHBondContact O-CG 3.45Å; N237-L241 PolarHBondContact O-N 3.34Å; N237-L241 VanDerWaalsContact O-N 3.12Å; L241-A244 WeakPolarHBondContact O-CB 3.42Å; L241-A244 PolarHBondContact O-N 2.91Å; L241-A245 PolarHBondContact O-N 3.25Å; L241-N251 PolarHBondContact O-ND2 3.37Å
242A98.6Very high98.6Very high11 Ų1132 Ų329%0.09118%0.176CC..G310 helixtrans-57.5-43.4-175.200000114.1Q238 A244 A245 Q315 R317Q238-A242 WeakPolarHBondContact O-CB 3.29Å; Q238-A242 PolarHBondContact O-N 3.3Å; Q238-A242 VanDerWaalsContact O-N 3.08Å; A242-A244 VanDerWaalsContact C-N 3.26Å; A242-A244 PolarHBondContact O-N 3.4Å; A242-A245 PolarHBondContact O-N 2.75Å; A242-Q315 HydrophobicContact CB-CB 4.4Å; A242-Q315 HydrophobicContact CB-CG 4.13Å; A242-R317 HydrophobicContact CB-CG 4.41Å
243P98.3Very high98.6Very high90 Ų9030.5 Ų30.558%0.58417%0.168SC*.G310 helixtrans-73.4-14.1176.729.5-36000114.2D239 V240D239-P243 WeakPolarHBondContact O-CG 3.27Å; V240-P243 WeakPolarHBondContact O-CD 3.46Å
244A98.1Very high98.6Very high11 Ų1129.3 Ų29.39%0.09116%0.164CC..G310 helixtrans-76.2-26.9176.500000112.7Y204 W214 L241 A242Y204-A244 HydrophobicContact CD1-CB 3.95Å; Y204-A244 HydrophobicContact CG-CB 3.85Å; W214-A244 HydrophobicContact CZ2-CB 4.18Å; L241-A244 WeakPolarHBondContact O-CB 3.42Å; L241-A244 PolarHBondContact O-N 2.91Å; A242-A244 VanDerWaalsContact C-N 3.26Å; A242-A244 PolarHBondContact O-N 3.4Å
245A98.4Very high98.6Very high12 Ų1229.4 Ų29.410%0.09916%0.164CC..  trans-82.5149.5-179.800000112.9L241 A242 R249 W250 Q315L241-A245 PolarHBondContact O-N 3.25Å; A242-A245 PolarHBondContact O-N 2.75Å; A245-R249 CarbonylContact C-O 3.5Å; A245-R249 VanDerWaalsContact CA-O 3.31Å; A245-R249 WeakPolarHBondContact CA-O 3.41Å; A245-W250 HydrophobicContact CB-CE3 4.47Å; A245-Q315 HydrophobicContact CB-CB 3.92Å
246G98.2Very high98.6Very high6 Ų629.3 Ų29.36%0.06216%0.164CC..BIsolated β-bridgetrans171.7-180173.500000112.2G248 R249 W250G246-G248 PolarHBondContact O-N 2.73Å; G246-G248 VanDerWaalsContact O-N 3.08Å; G246-R249 PolarHBondContact N-O 2.87Å; G246-R249 CarbonylContact O-C 3.57Å; G246-R249 PolarHBondContact O-N 3.08Å; G246-W250 WeakPolarHBondContact O-CZ2 3.08Å
247P98.6Very high98.6Very high50 Ų5023.8 Ų23.833%0.32514%0.138SC..THydrogen-bonded Turntrans-50.4117.3-179.6-30.938.1000113.5R25R25-P247 WeakPolarHBondContact O-CA 3.34Å; R25-P247 WeakPolarHBondContact O-CB 3.48Å
248G98Very high98.6Very high0 Ų022 Ų220%013%0.128CC..THydrogen-bonded Turntrans87.61.1-178.800000115.4M24 N212 G246M24-G248 WeakPolarHBondContact O-CA 2.99Å; M24-G248 PolarHBondContact O-N 3.47Å; N212-G248 VanDerWaalsContact CA-O 3.27Å; N212-G248 WeakPolarHBondContact CA-O 3.33Å; N212-G248 PolarHBondContact ND2-O 3.23Å; G246-G248 PolarHBondContact O-N 2.73Å; G246-G248 VanDerWaalsContact O-N 3.08Å
249R98.4Very high98.6Very high52 Ų5221.9 Ų21.920%0.19614%0.135CC..BIsolated β-bridgetrans-151.8106.1-177.961.7175.7-176-150.4-1.9112.1T16 A18 N212 W214 A245 G246T16-R249 PolarHBondContact O-NH1 2.94Å; A18-R249 HydrophobicContact CB-CG 4.49Å; N212-R249 CarbonylContact O-C 3.43Å; N212-R249 WeakPolarHBondContact O-CA 3.41Å; W214-R249 HydrophobicContact CH2-CB 3.65Å; W214-R249 HydrophobicContact CH2-CG 4.33Å; W214-R249 HydrophobicContact CZ3-CB 3.74Å; A245-R249 CarbonylContact C-O 3.5Å; A245-R249 VanDerWaalsContact CA-O 3.31Å; A245-R249 WeakPolarHBondContact CA-O 3.41Å; G246-R249 PolarHBondContact N-O 2.87Å; G246-R249 CarbonylContact O-C 3.57Å; G246-R249 PolarHBondContact O-N 3.08Å
250W98.9Very high98.6Very high0 Ų017 Ų170%011%0.109CC..EExtended strand (participates in β ladder)trans-122.9142.6-169.9-52.599.7000113.5M24 T26 P27 N212 L213 W214 A245 G246 A279 G313M24-W250 PolarHBondContact O-NE1 3.23Å; T26-W250 VanDerWaalsContact C-CZ2 3.4Å; T26-W250 PolarHBondContact O-NE1 3.38Å; P27-W250 HydrophobicContact CB-CD2 4.28Å; P27-W250 HydrophobicContact CG-CD2 3.93Å; P27-W250 HydrophobicContact CG-CE3 3.78Å; P27-W250 HydrophobicContact CG-CH2 3.9Å; P27-W250 HydrophobicContact CG-CZ2 4.05Å; P27-W250 HydrophobicContact CG-CZ3 3.77Å; N212-W250 PolarHBondContact O-N 3.42Å; L213-W250 CarbonylContact C-O 3.33Å; L213-W250 WeakPolarHBondContact CA-O 3.38Å; L213-W250 HydrophobicContact CB-CB 4.06Å; W214-W250 PolarHBondContact N-O 2.98Å; A245-W250 HydrophobicContact CB-CE3 4.47Å; G246-W250 WeakPolarHBondContact O-CZ2 3.08Å; W250-A279 HydrophobicContact CE3-CB 4.16Å; W250-A279 HydrophobicContact CZ3-CB 3.89Å; W250-G313 VanDerWaalsContact CH2-CA 3.48Å; W250-G313 WeakPolarHBondContact CZ3-O 3.19Å
251N98.9Very high98.6Very high1 Ų121.9 Ų21.91%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-72.9136.5162.3-63.2-63000109W214 N216 F234 L241 P253 P281 Q315W214-N251 PolarHBondContact NE1-OD1 3.42Å; N216-N251 PolarHBondContact ND2-OD1 2.85Å; N216-N251 WeakPolarHBondContact OD1-CA 3.24Å; N216-N251 WeakPolarHBondContact OD1-CB 3.49Å; F234-N251 HydrophobicContact CE1-CB 3.79Å; L241-N251 PolarHBondContact O-ND2 3.37Å; N251-P253 WeakPolarHBondContact O-CD 3.18Å; N251-P281 WeakPolarHBondContact O-CD 3.46Å; N251-Q315 PolarHBondContact ND2-OE1 3.02Å
252D98.9Very high98.6Very high9 Ų923.4 Ų23.45%0.04814%0.141CC..EExtended strand (participates in β ladder)trans-114.1102.6-179.1-174.75.2000110.2L213 W214 R215 N216 D254 P281L213-D252 HydrophobicContact CD1-CB 4.25Å; W214-D252 WeakPolarHBondContact O-CB 3.43Å; W214-D252 PolarHBondContact O-N 3Å; R215-D252 VanDerWaalsContact CD-CG 3.42Å; R215-D252 VanDerWaalsContact CD-OD2 3.22Å; R215-D252 WeakPolarHBondContact CD-OD2 3.48Å; R215-D252 HydrophobicContact CG-CB 4.29Å; N216-D252 PolarHBondContact N-O 3.35Å; N216-D252 PolarHBondContact OD1-N 2.91Å; N216-D252 VanDerWaalsContact OD1-N 3.14Å; D252-D254 PolarHBondContact O-N 2.82Å; D252-D254 WeakPolarHBondContact OD1-CA 3.32Å; D252-D254 PolarHBondContact OD1-N 2.89Å; D252-P281 HydrophobicContact CB-CG 4.17Å
253P98.9Very high98.6Very high3 Ų324 Ų242%0.01914%0.143CC..  trans-78.917.6172.533.2-33000113.2I230 F234 N251 W275 M278 A280I230-P253 HydrophobicContact CG2-CB 3.69Å; I230-P253 WeakPolarHBondContact CG2-O 3.4Å; F234-P253 HydrophobicContact CD1-CB 4.32Å; F234-P253 HydrophobicContact CD2-CB 4.16Å; F234-P253 HydrophobicContact CE1-CB 3.86Å; F234-P253 HydrophobicContact CE1-CG 4.37Å; F234-P253 HydrophobicContact CE2-CB 3.72Å; F234-P253 HydrophobicContact CG-CB 4.46Å; F234-P253 VanDerWaalsContact CZ-CA 3.41Å; F234-P253 HydrophobicContact CZ-CB 3.56Å; F234-P253 HydrophobicContact CZ-CG 4.42Å; N251-P253 WeakPolarHBondContact O-CD 3.18Å; P253-W275 HydrophobicContact CB-CZ2 4.11Å; P253-W275 HydrophobicContact CG-CD2 4.34Å; P253-W275 HydrophobicContact CG-CG 4.36Å; P253-W275 HydrophobicContact CG-CZ2 4.35Å; P253-W275 WeakPolarHBondContact O-CZ2 3.47Å; P253-M278 HydrophobicContact CB-CE 4.04Å; P253-M278 HydrophobicContact CB-SD 4.41Å; P253-M278 HydrophobicContact CG-CE 3.92Å; P253-M278 HydrophobicContact CG-SD 4.45Å; P253-A280 HydrophobicContact CG-CB 3.45Å; P253-A280 VanDerWaalsContact CG-CB 3.45Å
254D98.9Very high98.6Very high6 Ų622 Ų223%0.03213%0.132CC..  trans74.7178.2-178.8-147.98.2000114.1R215 D219 I220 D252 W275R215-D254 IonicContact CZ-OD1 3.05Å; R215-D254 IonicContact CZ-OD2 3.55Å; R215-D254 VanDerWaalsContact CZ-OD2 3.25Å; R215-D254 IonicContact NE-OD1 3.03Å; R215-D254 IonicContact NE-OD2 3.87Å; R215-D254 IonicContact NH1-OD1 3.26Å; R215-D254 PolarHBondContact NH1-OD1 2.77Å; R215-D254 IonicContact NH1-OD2 3.59Å; R215-D254 PolarHBondContact NH1-OD2 2.87Å; R215-D254 IonicContact NH2-OD2 2.69Å; D219-D254 WeakPolarHBondContact CA-OD2 3.47Å; I220-D254 HydrophobicContact CB-CB 4Å; I220-D254 HydrophobicContact CG2-CB 3.97Å; I220-D254 WeakPolarHBondContact CG2-OD2 3.37Å; I220-D254 PolarHBondContact N-OD2 3.2Å; D252-D254 PolarHBondContact O-N 2.82Å; D252-D254 WeakPolarHBondContact OD1-CA 3.32Å; D252-D254 PolarHBondContact OD1-N 2.89Å; D254-W275 PolarHBondContact O-NE1 3.16Å
255M98.9Very high98.7Very high3 Ų325.2 Ų25.22%0.01515%0.146CC..  trans-59.1159.1-169.7-61.9160.9-79.200115.1L32 W34 E35 I220 Q271 F283 S285L32-M255 HydrophobicContact CB-CG 4.4Å; L32-M255 HydrophobicContact CB-SD 4.31Å; L32-M255 HydrophobicContact CD2-CE 4.39Å; L32-M255 HydrophobicContact CD2-CG 4.18Å; L32-M255 HydrophobicContact CD2-SD 3.29Å; L32-M255 WeakPolarHBondContact CD2-SD 3.38Å; L32-M255 HydrophobicContact CG-SD 4.32Å; W34-M255 HydrophobicContact CB-CE 4Å; W34-M255 HydrophobicContact CB-SD 4Å; W34-M255 HydrophobicContact CG-CE 4.31Å; E35-M255 HydrophobicContact CB-CE 3.72Å; E35-M255 HydrophobicContact CB-SD 3.81Å; E35-M255 HydrophobicContact CG-CE 4.37Å; I220-M255 VanDerWaalsContact CD1-O 3.27Å; I220-M255 WeakPolarHBondContact CD1-O 3.39Å; I220-M255 HydrophobicContact CG2-CB 4.22Å; I220-M255 HydrophobicContact CG2-CE 4.12Å; M255-Q271 PolarHBondContact O-NE2 3.29Å; M255-Q271 VanDerWaalsContact O-NE2 3.14Å; M255-F283 CarbonylContact C-O 3.55Å; M255-F283 WeakPolarHBondContact CA-O 3.49Å; M255-F283 HydrophobicContact CG-CB 4.46Å; M255-S285 VanDerWaalsContact SD-CB 3.52Å
256L98.9Very high98.7Very high1 Ų126.3 Ų26.31%0.00515%0.149CC..BIsolated β-bridgetrans-82.2127.4164.2-59.9172.4000109.6I258 Q271 M272 W275 L282 F283 S285 L299L256-I258 HydrophobicContact CD2-CD1 4.31Å; L256-Q271 HydrophobicContact CD2-CG 4.01Å; L256-M272 HydrophobicContact CD1-SD 4.03Å; L256-W275 HydrophobicContact CD2-CB 4.07Å; L256-W275 HydrophobicContact CD2-CD2 4.26Å; L256-W275 HydrophobicContact CD2-CG 3.72Å; L256-L282 HydrophobicContact CD1-CB 3.98Å; L256-L282 HydrophobicContact CD1-CD2 3.99Å; L256-F283 PolarHBondContact N-O 2.98Å; L256-S285 PolarHBondContact O-N 2.59Å; L256-L299 HydrophobicContact CB-CD2 4.46Å; L256-L299 HydrophobicContact CD1-CD2 3.66Å
257V98.9Very high98.7Very high1 Ų127.4 Ų27.41%0.00615%0.152CC..  trans-104.421.5177.1-59.50000111.6E35 I220 V227 G259 D260 L263 Q271E35-V257 HydrophobicContact CB-CG1 4.3Å; E35-V257 HydrophobicContact CG-CG1 3.48Å; E35-V257 VanDerWaalsContact CG-CG1 3.48Å; I220-V257 HydrophobicContact CD1-CG1 4.27Å; I220-V257 HydrophobicContact CD1-CG2 4.43Å; I220-V257 HydrophobicContact CG1-CG1 4.35Å; I220-V257 HydrophobicContact CG2-CG1 4.1Å; V227-V257 HydrophobicContact CG2-CG2 4.25Å; V257-G259 PolarHBondContact O-N 3.48Å; V257-D260 VanDerWaalsContact C-OD2 3.27Å; V257-D260 VanDerWaalsContact CA-OD2 3.31Å; V257-D260 WeakPolarHBondContact CA-OD2 3.39Å; V257-D260 PolarHBondContact O-N 2.67Å; V257-L263 HydrophobicContact CG2-CD1 3.64Å; V257-L263 HydrophobicContact CG2-CG 3.91Å; V257-Q271 VanDerWaalsContact N-OE1 3.11Å
258I98.9Very high98.7Very high0 Ų025.4 Ų25.40%014%0.139CC..THydrogen-bonded Turntrans-72.7124.2178.8-62.6161.8000108.1L256 S268 Q271 M272 N286 A295 I298 L299L256-I258 HydrophobicContact CD2-CD1 4.31Å; I258-S268 WeakPolarHBondContact CD1-O 3.44Å; I258-Q271 HydrophobicContact CD1-CB 4.39Å; I258-Q271 HydrophobicContact CG1-CB 4.43Å; I258-M272 HydrophobicContact CD1-CB 3.77Å; I258-M272 HydrophobicContact CD1-SD 4.34Å; I258-N286 PolarHBondContact O-ND2 2.72Å; I258-A295 HydrophobicContact CG2-CB 3.94Å; I258-I298 HydrophobicContact CD1-CG2 4.1Å; I258-I298 HydrophobicContact CG2-CB 4.48Å; I258-I298 HydrophobicContact CG2-CG2 4.43Å; I258-L299 HydrophobicContact CB-CD1 4.04Å; I258-L299 HydrophobicContact CB-CD2 4.05Å; I258-L299 HydrophobicContact CB-CG 4.06Å; I258-L299 HydrophobicContact CD1-CD2 3.79Å; I258-L299 HydrophobicContact CD1-CG 4.37Å; I258-L299 HydrophobicContact CG2-CD1 3.85Å; I258-L299 HydrophobicContact CG2-CD2 4.32Å; I258-L299 HydrophobicContact CG2-CG 3.81Å
259G98.4Very high98.8Very high26 Ų2629.1 Ų29.127%0.26815%0.153SC..THydrogen-bonded Turntrans101.8-3.8-178.900000114.3V257 A295V257-G259 PolarHBondContact O-N 3.48Å; G259-A295 VanDerWaalsContact CA-CB 3.48Å
260D98.5Very high98.8Very high24 Ų2426.7 Ų26.713%0.12814%0.144CC..SBendtrans-87.3-138.6170.9-54.2-54.6000110.3R36 D222 V257 N286R36-D260 VanDerWaalsContact CD-OD1 3.29Å; R36-D260 WeakPolarHBondContact CD-OD1 3.29Å; R36-D260 IonicContact NE-OD1 3.46Å; D222-D260 WeakPolarHBondContact OD2-CB 3.08Å; V257-D260 VanDerWaalsContact C-OD2 3.27Å; V257-D260 VanDerWaalsContact CA-OD2 3.31Å; V257-D260 WeakPolarHBondContact CA-OD2 3.39Å; V257-D260 PolarHBondContact O-N 2.67Å; D260-N286 VanDerWaalsContact OD1-CA 3.26Å; D260-N286 WeakPolarHBondContact OD1-CA 2.97Å; D260-N286 VanDerWaalsContact OD1-CB 3.29Å; D260-N286 WeakPolarHBondContact OD1-CB 3.4Å
261F98.5Very high98.8Very high154 Ų15426.7 Ų26.768%0.67514%0.144SC*.SBendtrans-118.1-27.1-162.7-47.3-76.7000114.5D222D222-F261 VanDerWaalsContact OD2-CA 3.3Å; D222-F261 WeakPolarHBondContact OD2-CA 3.4Å; D222-F261 VanDerWaalsContact OD2-CB 3.29Å; D222-F261 WeakPolarHBondContact OD2-CB 3.38Å; D222-F261 PolarHBondContact OD2-N 2.86Å
262G98.4Very high98.8Very high31 Ų3126.6 Ų26.632%0.3214%0.144SC..SBendtrans-93.3-10.6-16700000115.4D222D222-G262 WeakPolarHBondContact OD1-CA 3.42Å; D222-G262 PolarHBondContact OD1-N 3.38Å; D222-G262 PolarHBondContact OD2-N 2.7Å
263L98.8Very high98.8Very high23 Ų2326.2 Ų26.212%0.1214%0.141CC..  trans-106.5132.2178.2-57.8-165.2000112.6W224 V227 V257 Q267 Q271W224-L263 HydrophobicContact CB-CD2 4.21Å; W224-L263 HydrophobicContact CE3-CD2 4.28Å; V227-L263 HydrophobicContact CG2-CD1 4.07Å; V227-L263 HydrophobicContact CG2-CD2 3.94Å; V257-L263 HydrophobicContact CG2-CD1 3.64Å; V257-L263 HydrophobicContact CG2-CG 3.91Å; L263-Q267 HydrophobicContact CB-CB 4.1Å; L263-Q267 HydrophobicContact CD2-CB 4.25Å; L263-Q271 HydrophobicContact CD1-CB 4.3Å
264S98.8Very high98.8Very high50 Ų5026.1 Ų26.135%0.3514%0.141SC..  trans-66.8169.4163.881.10000111.4E266 Q267 S268S264-E266 VanDerWaalsContact C-N 3.29Å; S264-E266 PolarHBondContact O-N 2.94Å; S264-E266 PolarHBondContact OG-N 3.44Å; S264-Q267 PolarHBondContact O-N 3.08Å; S264-Q267 WeakPolarHBondContact OG-CG 3.37Å; S264-Q267 PolarHBondContact OG-N 3.41Å; S264-Q267 PolarHBondContact OG-OE1 3.39Å; S264-S268 WeakPolarHBondContact O-CB 3.14Å; S264-S268 PolarHBondContact O-N 3.04Å; S264-S268 PolarHBondContact O-OG 2.82Å
265M98.6Very high98.8Very high78 Ų7825.8 Ų25.838%0.38414%0.139SC..Hα-helixtrans-59.1-40.4175.1-170.359.655.200112.3S268 R269 I298M265-S268 PolarHBondContact O-N 2.85Å; M265-R269 WeakPolarHBondContact O-CG 3.5Å; M265-R269 PolarHBondContact O-N 3.03Å; M265-R269 VanDerWaalsContact O-N 3.08Å; M265-I298 HydrophobicContact SD-CD1 3.48Å; M265-I298 WeakPolarHBondContact SD-CD1 3.34Å; M265-I298 HydrophobicContact SD-CG1 4.43Å
266E98.8Very high98.8Very high35 Ų3525.7 Ų25.716%0.16414%0.138CC..Hα-helixtrans-68.2-40.4178.1-67.7-59.3115.600111.4S264 R269 S270 N391S264-E266 VanDerWaalsContact C-N 3.29Å; S264-E266 PolarHBondContact O-N 2.94Å; S264-E266 PolarHBondContact OG-N 3.44Å; E266-R269 PolarHBondContact O-N 2.81Å; E266-R269 IonicContact OE1-CZ 3.82Å; E266-R269 IonicContact OE1-NH1 3.9Å; E266-R269 PolarHBondContact OE1-NH1 2.89Å; E266-S270 PolarHBondContact O-N 3.47Å; E266-S270 PolarHBondContact O-OG 3.04Å; E266-N391 VanDerWaalsContact CD-ND2 3.35Å; E266-N391 HydrophobicContact CG-CB 4.19Å; E266-N391 VanDerWaalsContact OE2-CB 3.3Å; E266-N391 WeakPolarHBondContact OE2-CB 3.43Å; E266-N391 PolarHBondContact OE2-ND2 3.34Å
267Q98.9Very high98.8Very high29 Ų2925.6 Ų25.614%0.13614%0.138CC..Hα-helixtrans-68.6-36177.3-68.3165-12.400111.9W224 L263 S264 S270 Q271 T393W224-Q267 HydrophobicContact CB-CG 4.42Å; W224-Q267 HydrophobicContact CD2-CB 4.06Å; W224-Q267 HydrophobicContact CD2-CG 3.51Å; W224-Q267 HydrophobicContact CE3-CB 3.59Å; W224-Q267 HydrophobicContact CE3-CG 3.59Å; W224-Q267 VanDerWaalsContact CG-CD 3.48Å; W224-Q267 HydrophobicContact CG-CG 3.9Å; W224-Q267 VanDerWaalsContact CG-NE2 3.32Å; W224-Q267 HydrophobicContact CH2-CG 4.37Å; W224-Q267 HydrophobicContact CZ2-CG 4.28Å; W224-Q267 HydrophobicContact CZ3-CB 3.88Å; W224-Q267 HydrophobicContact CZ3-CG 4.03Å; L263-Q267 HydrophobicContact CB-CB 4.1Å; L263-Q267 HydrophobicContact CD2-CB 4.25Å; S264-Q267 PolarHBondContact O-N 3.08Å; S264-Q267 WeakPolarHBondContact OG-CG 3.37Å; S264-Q267 PolarHBondContact OG-N 3.41Å; S264-Q267 PolarHBondContact OG-OE1 3.39Å; Q267-S270 WeakPolarHBondContact O-CB 3.32Å; Q267-S270 PolarHBondContact O-N 2.83Å; Q267-Q271 PolarHBondContact O-N 3.43Å; Q267-T393 WeakPolarHBondContact CG-OG1 3.5Å
268S98.9Very high98.8Very high7 Ų725.6 Ų25.65%0.04914%0.138CC..Hα-helixtrans-62.1-44.9173.4-63.40000111.4I258 S264 M265 S270 Q271 M272I258-S268 WeakPolarHBondContact CD1-O 3.44Å; S264-S268 WeakPolarHBondContact O-CB 3.14Å; S264-S268 PolarHBondContact O-N 3.04Å; S264-S268 PolarHBondContact O-OG 2.82Å; M265-S268 PolarHBondContact O-N 2.85Å; S268-S270 VanDerWaalsContact C-N 3.31Å; S268-S270 PolarHBondContact O-N 3.37Å; S268-Q271 PolarHBondContact O-N 2.89Å; S268-M272 PolarHBondContact O-N 3.25Å; S268-M272 VanDerWaalsContact O-N 3.13Å
269R98.9Very high98.8Very high79 Ų7925.6 Ų25.630%0.29814%0.138SC..Hα-helixtrans-62.2-39.5172.9-71.3174177.8153.4-4.4111.7M265 E266 A273 I298 Y373 V395M265-R269 WeakPolarHBondContact O-CG 3.5Å; M265-R269 PolarHBondContact O-N 3.03Å; M265-R269 VanDerWaalsContact O-N 3.08Å; E266-R269 PolarHBondContact O-N 2.81Å; E266-R269 IonicContact OE1-CZ 3.82Å; E266-R269 IonicContact OE1-NH1 3.9Å; E266-R269 PolarHBondContact OE1-NH1 2.89Å; R269-A273 VanDerWaalsContact O-CB 3.31Å; R269-A273 WeakPolarHBondContact O-CB 3.27Å; R269-A273 PolarHBondContact O-N 3.33Å; R269-I298 HydrophobicContact CG-CD1 3.67Å; R269-I298 HydrophobicContact CG-CG1 3.96Å; R269-Y373 WeakPolarHBondContact CA-OH 3.3Å; R269-Y373 HydrophobicContact CB-CE1 4.26Å; R269-Y373 HydrophobicContact CB-CE2 3.97Å; R269-Y373 HydrophobicContact CG-CD1 4.26Å; R269-Y373 HydrophobicContact CG-CE1 3.86Å; R269-Y373 HydrophobicContact CG-CE2 4.29Å; R269-Y373 PolarHBondContact O-OH 2.92Å; R269-V395 HydrophobicContact CB-CG2 4.06Å
270S98.9Very high98.8Very high0 Ų024.4 Ų24.40%013%0.125CC..Hα-helixtrans-63.2-45.9176.6-64.70000111.8E266 Q267 S268 A273 L274 T393 G394E266-S270 PolarHBondContact O-N 3.47Å; E266-S270 PolarHBondContact O-OG 3.04Å; Q267-S270 WeakPolarHBondContact O-CB 3.32Å; Q267-S270 PolarHBondContact O-N 2.83Å; S268-S270 VanDerWaalsContact C-N 3.31Å; S268-S270 PolarHBondContact O-N 3.37Å; S270-A273 PolarHBondContact O-N 3.34Å; S270-L274 WeakPolarHBondContact O-CB 3.45Å; S270-L274 VanDerWaalsContact O-CG 3.25Å; S270-L274 WeakPolarHBondContact O-CG 3.34Å; S270-L274 PolarHBondContact O-N 2.92Å; S270-T393 PolarHBondContact OG-O 2.89Å; S270-G394 VanDerWaalsContact OG-CA 3.31Å; S270-G394 WeakPolarHBondContact OG-CA 3.38Å
271Q98.9Very high98.8Very high0 Ų023.3 Ų23.30%012%0.12CC..Hα-helixtrans-58.9-52.1177-169.2-177.122.900110.8V227 M255 L256 V257 I258 L263 Q267 S268 A273 L274 W275V227-Q271 HydrophobicContact CG1-CB 4.17Å; V227-Q271 HydrophobicContact CG1-CG 4.13Å; M255-Q271 PolarHBondContact O-NE2 3.29Å; M255-Q271 VanDerWaalsContact O-NE2 3.14Å; L256-Q271 HydrophobicContact CD2-CG 4.01Å; V257-Q271 VanDerWaalsContact N-OE1 3.11Å; I258-Q271 HydrophobicContact CD1-CB 4.39Å; I258-Q271 HydrophobicContact CG1-CB 4.43Å; L263-Q271 HydrophobicContact CD1-CB 4.3Å; Q267-Q271 PolarHBondContact O-N 3.43Å; S268-Q271 PolarHBondContact O-N 2.89Å; Q271-A273 VanDerWaalsContact C-N 3.31Å; Q271-A273 PolarHBondContact O-N 2.95Å; Q271-L274 PolarHBondContact O-N 2.97Å; Q271-W275 HydrophobicContact CB-CE3 4.44Å; Q271-W275 HydrophobicContact CG-CD2 3.85Å; Q271-W275 HydrophobicContact CG-CE3 3.54Å; Q271-W275 HydrophobicContact CG-CH2 3.99Å; Q271-W275 HydrophobicContact CG-CZ2 4.25Å; Q271-W275 HydrophobicContact CG-CZ3 3.62Å; Q271-W275 WeakPolarHBondContact O-CB 3.31Å; Q271-W275 PolarHBondContact O-N 2.68Å
272M98.9Very high98.9Very high0 Ų016 Ų160%09%0.087CC..Hα-helixtrans-58.3-43.6-179.4-16966178.200112.1L256 I258 S268 A276 L282 I298 L299 I304 I305L256-M272 HydrophobicContact CD1-SD 4.03Å; I258-M272 HydrophobicContact CD1-CB 3.77Å; I258-M272 HydrophobicContact CD1-SD 4.34Å; S268-M272 PolarHBondContact O-N 3.25Å; S268-M272 VanDerWaalsContact O-N 3.13Å; M272-A276 VanDerWaalsContact O-CB 3.28Å; M272-A276 WeakPolarHBondContact O-CB 3.45Å; M272-A276 PolarHBondContact O-N 2.96Å; M272-L282 HydrophobicContact CE-CD1 3.87Å; M272-L282 HydrophobicContact SD-CD2 4.38Å; M272-I298 HydrophobicContact CB-CG2 3.66Å; M272-I298 HydrophobicContact CG-CG2 3.95Å; M272-L299 HydrophobicContact SD-CD2 4.19Å; M272-I304 HydrophobicContact CB-CD1 4.06Å; M272-I304 HydrophobicContact CE-CG2 3.51Å; M272-I304 HydrophobicContact CG-CD1 3.49Å; M272-I304 VanDerWaalsContact CG-CD1 3.49Å; M272-I304 HydrophobicContact CG-CG1 4.02Å; M272-I304 HydrophobicContact CG-CG2 3.99Å; M272-I305 HydrophobicContact CE-CG1 4.31Å
273A98.9Very high98.9Very high0 Ų014.8 Ų14.80%07%0.074CC..Hα-helixtrans-65.4-45.3179.600000112.5R269 S270 Q271 A276 I277 I304 V341 V395 M397R269-A273 VanDerWaalsContact O-CB 3.31Å; R269-A273 WeakPolarHBondContact O-CB 3.27Å; R269-A273 PolarHBondContact O-N 3.33Å; S270-A273 PolarHBondContact O-N 3.34Å; Q271-A273 VanDerWaalsContact C-N 3.31Å; Q271-A273 PolarHBondContact O-N 2.95Å; A273-A276 PolarHBondContact O-N 3.14Å; A273-I277 WeakPolarHBondContact O-CG1 3.4Å; A273-I277 PolarHBondContact O-N 3.47Å; A273-I304 HydrophobicContact CB-CD1 4.35Å; A273-V341 HydrophobicContact CB-CG1 4.29Å; A273-V341 HydrophobicContact CB-CG2 4.08Å; A273-V395 HydrophobicContact CB-CB 4.46Å; A273-V395 HydrophobicContact CB-CG1 4.38Å; A273-V395 HydrophobicContact CB-CG2 3.9Å; A273-M397 HydrophobicContact CB-SD 3.58Å; A273-M397 VanDerWaalsContact CB-SD 3.58Å
274L98.9Very high98.9Very high1 Ų113.7 Ų13.71%0.0057%0.068CC..Hα-helixtrans-70.2-38.4-179-65.6174.8000111.6A231 F235 S270 Q271 I277 M278 F329 V341A231-L274 HydrophobicContact CB-CD1 4.21Å; F235-L274 HydrophobicContact CE2-CB 4.5Å; F235-L274 HydrophobicContact CE2-CD2 4.08Å; F235-L274 HydrophobicContact CZ-CD2 4.42Å; S270-L274 WeakPolarHBondContact O-CB 3.45Å; S270-L274 VanDerWaalsContact O-CG 3.25Å; S270-L274 WeakPolarHBondContact O-CG 3.34Å; S270-L274 PolarHBondContact O-N 2.92Å; Q271-L274 PolarHBondContact O-N 2.97Å; L274-I277 PolarHBondContact O-N 3.48Å; L274-M278 WeakPolarHBondContact O-CG 3.41Å; L274-M278 PolarHBondContact O-N 2.85Å; L274-F329 HydrophobicContact CD2-CD1 4.31Å; L274-F329 HydrophobicContact CD2-CD2 3.69Å; L274-F329 HydrophobicContact CD2-CE1 4.21Å; L274-F329 HydrophobicContact CD2-CE2 3.56Å; L274-F329 HydrophobicContact CD2-CG 4.07Å; L274-F329 HydrophobicContact CD2-CZ 3.84Å; L274-V341 HydrophobicContact CD2-CG1 4.46Å
275W98.9Very high98.9Very high0 Ų011.3 Ų11.30%05%0.051CC..Hα-helixtrans-64.8-40.1173.5-90.7-121.6000111.4I220 V227 I230 P253 D254 L256 Q271 I277 M278 A279 A280 L282I220-W275 HydrophobicContact CD1-CH2 4.25Å; I220-W275 HydrophobicContact CD1-CZ2 3.92Å; V227-W275 HydrophobicContact CG1-CH2 4.01Å; V227-W275 HydrophobicContact CG1-CZ3 3.86Å; I230-W275 HydrophobicContact CG2-CH2 4.13Å; I230-W275 HydrophobicContact CG2-CZ2 4.27Å; P253-W275 HydrophobicContact CB-CZ2 4.11Å; P253-W275 HydrophobicContact CG-CD2 4.34Å; P253-W275 HydrophobicContact CG-CG 4.36Å; P253-W275 HydrophobicContact CG-CZ2 4.35Å; P253-W275 WeakPolarHBondContact O-CZ2 3.47Å; D254-W275 PolarHBondContact O-NE1 3.16Å; L256-W275 HydrophobicContact CD2-CB 4.07Å; L256-W275 HydrophobicContact CD2-CD2 4.26Å; L256-W275 HydrophobicContact CD2-CG 3.72Å; Q271-W275 HydrophobicContact CB-CE3 4.44Å; Q271-W275 HydrophobicContact CG-CD2 3.85Å; Q271-W275 HydrophobicContact CG-CE3 3.54Å; Q271-W275 HydrophobicContact CG-CH2 3.99Å; Q271-W275 HydrophobicContact CG-CZ2 4.25Å; Q271-W275 HydrophobicContact CG-CZ3 3.62Å; Q271-W275 WeakPolarHBondContact O-CB 3.31Å; Q271-W275 PolarHBondContact O-N 2.68Å; W275-I277 PolarHBondContact O-N 3.36Å; W275-M278 HydrophobicContact CD2-CE 3.86Å; W275-M278 HydrophobicContact CE3-CE 3.6Å; W275-M278 HydrophobicContact CG-CE 4.36Å; W275-M278 HydrophobicContact CZ3-CE 3.97Å; W275-M278 PolarHBondContact O-N 3.36Å; W275-A279 PolarHBondContact O-N 2.85Å; W275-A280 HydrophobicContact CB-CB 3.99Å; W275-A280 HydrophobicContact CG-CB 3.95Å; W275-A280 WeakPolarHBondContact O-CB 3.15Å; W275-A280 PolarHBondContact O-N 2.84Å; W275-L282 HydrophobicContact CB-CD2 4.21Å
276A98.9Very high98.9Very high0 Ų07.7 Ų7.70%03%0.033CC..Hα-helixtrans-63.2-40.1173.100000112.2M272 A273 M278 A279 I304 I307 N308 R331 M397M272-A276 VanDerWaalsContact O-CB 3.28Å; M272-A276 WeakPolarHBondContact O-CB 3.45Å; M272-A276 PolarHBondContact O-N 2.96Å; A273-A276 PolarHBondContact O-N 3.14Å; A276-M278 VanDerWaalsContact C-N 3.35Å; A276-A279 PolarHBondContact O-N 3.21Å; A276-I304 HydrophobicContact CB-CD1 4.46Å; A276-I304 HydrophobicContact CB-CG1 3.73Å; A276-I307 HydrophobicContact CB-CG2 4.43Å; A276-N308 HydrophobicContact CB-CB 4.18Å; A276-R331 WeakPolarHBondContact O-CD 3.4Å; A276-R331 PolarHBondContact O-NH1 2.82Å; A276-M397 HydrophobicContact CB-CE 4.25Å
277I98.9Very high98.9Very high0 Ų06.7 Ų6.70%03%0.029CC..Hα-helixtrans-63.9-40172.7-72.4-62.4000111.4F235 A273 L274 W275 A279 G316 F329 R331 A339 V341F235-I277 HydrophobicContact CE1-CG2 4.04Å; F235-I277 HydrophobicContact CZ-CG2 3.95Å; A273-I277 WeakPolarHBondContact O-CG1 3.4Å; A273-I277 PolarHBondContact O-N 3.47Å; L274-I277 PolarHBondContact O-N 3.48Å; W275-I277 PolarHBondContact O-N 3.36Å; I277-A279 PolarHBondContact O-N 2.9Å; I277-G316 VanDerWaalsContact O-CA 3.23Å; I277-G316 WeakPolarHBondContact O-CA 3.33Å; I277-G316 PolarHBondContact O-N 3.28Å; I277-F329 HydrophobicContact CG1-CB 4.28Å; I277-F329 HydrophobicContact CG2-CB 3.92Å; I277-R331 HydrophobicContact CD1-CB 3.68Å; I277-R331 WeakPolarHBondContact O-CD 3.47Å; I277-A339 HydrophobicContact CD1-CB 3.79Å; I277-V341 HydrophobicContact CD1-CG2 3.9Å; I277-V341 HydrophobicContact CG1-CB 4.29Å; I277-V341 HydrophobicContact CG1-CG2 3.53Å
278M98.9Very high98.9Very high1 Ų15.3 Ų5.31%0.0052%0.023CC..THydrogen-bonded Turntrans-72.1-3.9179.9-71.9-174.3-71.100114F234 F235 P253 L274 W275 A276 A280 Q315F234-M278 HydrophobicContact CB-SD 3.65Å; F234-M278 HydrophobicContact CD1-SD 3.73Å; F234-M278 HydrophobicContact CG-SD 3.83Å; F235-M278 HydrophobicContact CE1-CG 3.97Å; F235-M278 HydrophobicContact CE2-CG 4.12Å; F235-M278 HydrophobicContact CE2-SD 4.06Å; F235-M278 HydrophobicContact CZ-CG 3.51Å; F235-M278 HydrophobicContact CZ-SD 4.06Å; P253-M278 HydrophobicContact CB-CE 4.04Å; P253-M278 HydrophobicContact CB-SD 4.41Å; P253-M278 HydrophobicContact CG-CE 3.92Å; P253-M278 HydrophobicContact CG-SD 4.45Å; L274-M278 WeakPolarHBondContact O-CG 3.41Å; L274-M278 PolarHBondContact O-N 2.85Å; W275-M278 HydrophobicContact CD2-CE 3.86Å; W275-M278 HydrophobicContact CE3-CE 3.6Å; W275-M278 HydrophobicContact CG-CE 4.36Å; W275-M278 HydrophobicContact CZ3-CE 3.97Å; W275-M278 PolarHBondContact O-N 3.36Å; A276-M278 VanDerWaalsContact C-N 3.35Å; M278-A280 HydrophobicContact CB-CB 4.31Å; M278-A280 PolarHBondContact O-N 3.14Å; M278-Q315 VanDerWaalsContact O-CD 3.23Å; M278-Q315 WeakPolarHBondContact O-CG 3.41Å; M278-Q315 PolarHBondContact O-OE1 3.42Å
279A98.9Very high98.9Very high0 Ų07.9 Ų7.90%03%0.031CC..THydrogen-bonded Turntrans52.536.5-168.100000111.9P27 W250 W275 A276 I277 Q315P27-A279 HydrophobicContact CG-CB 4.34Å; P27-A279 WeakPolarHBondContact CG-O 3.31Å; W250-A279 HydrophobicContact CE3-CB 4.16Å; W250-A279 HydrophobicContact CZ3-CB 3.89Å; W275-A279 PolarHBondContact O-N 2.85Å; A276-A279 PolarHBondContact O-N 3.21Å; I277-A279 PolarHBondContact O-N 2.9Å; A279-Q315 HydrophobicContact CB-CB 4.28Å
280A98.9Very high98.9Very high0 Ų09.2 Ų9.20%05%0.048CC..  trans-72.7153.9-177.100000111.5P27 P253 W275 M278 N308P27-A280 VanDerWaalsContact CB-O 3.28Å; P27-A280 WeakPolarHBondContact CB-O 3.49Å; P253-A280 HydrophobicContact CG-CB 3.45Å; P253-A280 VanDerWaalsContact CG-CB 3.45Å; W275-A280 HydrophobicContact CB-CB 3.99Å; W275-A280 HydrophobicContact CG-CB 3.95Å; W275-A280 WeakPolarHBondContact O-CB 3.15Å; W275-A280 PolarHBondContact O-N 2.84Å; M278-A280 HydrophobicContact CB-CB 4.31Å; M278-A280 PolarHBondContact O-N 3.14Å; A280-N308 PolarHBondContact O-ND2 2.9Å
281P98.9Very high98.9Very high1 Ų110 Ų101%0.0065%0.052CC..  trans-48.7142.4157.5-25.835.9000111.4P28 L213 N251 D252 F283P28-P281 HydrophobicContact CG-CB 4.03Å; P28-P281 HydrophobicContact CG-CG 4.21Å; P28-P281 CarbonylContact O-C 3.57Å; P28-P281 WeakPolarHBondContact O-CA 3.4Å; L213-P281 HydrophobicContact CD1-CB 4.46Å; L213-P281 HydrophobicContact CD1-CG 3.73Å; N251-P281 WeakPolarHBondContact O-CD 3.46Å; D252-P281 HydrophobicContact CB-CG 4.17Å; P281-F283 HydrophobicContact CB-CD2 3.62Å; P281-F283 HydrophobicContact CB-CE2 3.66Å; P281-F283 HydrophobicContact CG-CE2 4.41Å
282L98.9Very high98.8Very high0 Ų013 Ų130%07%0.073CC..EExtended strand (participates in β ladder)trans-108.667.5172.2-54.5179.8000109.1P28 M29 G30 Y73 L256 M272 W275 N308P28-L282 PolarHBondContact O-N 2.75Å; M29-L282 WeakPolarHBondContact CA-O 3.39Å; M29-L282 HydrophobicContact CB-CB 4.41Å; M29-L282 HydrophobicContact CE-CD1 4.06Å; M29-L282 HydrophobicContact CG-CB 4.03Å; M29-L282 HydrophobicContact CG-CD1 4.24Å; M29-L282 HydrophobicContact CG-CG 4.37Å; M29-L282 HydrophobicContact SD-CD1 4.28Å; G30-L282 PolarHBondContact N-O 2.62Å; Y73-L282 HydrophobicContact CE1-CB 4.03Å; Y73-L282 WeakPolarHBondContact CE1-O 3.13Å; L256-L282 HydrophobicContact CD1-CB 3.98Å; L256-L282 HydrophobicContact CD1-CD2 3.99Å; M272-L282 HydrophobicContact CE-CD1 3.87Å; M272-L282 HydrophobicContact SD-CD2 4.38Å; W275-L282 HydrophobicContact CB-CD2 4.21Å; L282-N308 HydrophobicContact CD1-CB 3.85Å; L282-N308 VanDerWaalsContact CD1-CG 3.48Å; L282-N308 WeakPolarHBondContact CD1-OD1 3.37Å; L282-N308 HydrophobicContact CG-CB 4.48Å
283F98.9Very high98.8Very high7 Ų717.9 Ų17.93%0.03111%0.107CC..EExtended strand (participates in β ladder)trans-86.7108.7169.8-66.5-56.8000109.5P28 G30 L32 Y75 N77 M154 L213 M255 L256 P281P28-F283 HydrophobicContact CB-CE1 4.19Å; P28-F283 HydrophobicContact CB-CE2 4.38Å; P28-F283 HydrophobicContact CB-CZ 3.63Å; P28-F283 HydrophobicContact CG-CE2 3.84Å; P28-F283 HydrophobicContact CG-CZ 3.56Å; G30-F283 WeakPolarHBondContact O-CA 3.43Å; L32-F283 HydrophobicContact CB-CB 4.24Å; Y75-F283 HydrophobicContact CD2-CE1 4.47Å; Y75-F283 HydrophobicContact CG-CE1 4.37Å; N77-F283 VanDerWaalsContact ND2-CE1 3.28Å; N77-F283 WeakPolarHBondContact ND2-CE1 3.43Å; M154-F283 HydrophobicContact CE-CE2 3.9Å; M154-F283 HydrophobicContact CE-CZ 3.6Å; M154-F283 HydrophobicContact SD-CE1 4.3Å; M154-F283 HydrophobicContact SD-CZ 3.7Å; L213-F283 HydrophobicContact CD1-CE2 3.92Å; M255-F283 CarbonylContact C-O 3.55Å; M255-F283 WeakPolarHBondContact CA-O 3.49Å; M255-F283 HydrophobicContact CG-CB 4.46Å; L256-F283 PolarHBondContact N-O 2.98Å; P281-F283 HydrophobicContact CB-CD2 3.62Å; P281-F283 HydrophobicContact CB-CE2 3.66Å; P281-F283 HydrophobicContact CG-CE2 4.41Å
284M98.9Very high98.8Very high0 Ų018.7 Ų18.70%012%0.116CC..EExtended strand (participates in β ladder)trans-69.9141.1169.3-59.5178.6-63.100109.3G30 W31 L32 W68 Y73 L288 L299G30-M284 PolarHBondContact O-N 3.43Å; W31-M284 CarbonylContact C-O 3.38Å; W31-M284 WeakPolarHBondContact CA-O 3.4Å; L32-M284 PolarHBondContact N-O 3.32Å; W68-M284 HydrophobicContact CD2-CE 4.17Å; W68-M284 HydrophobicContact CE3-CE 3.88Å; W68-M284 HydrophobicContact CE3-SD 3.91Å; W68-M284 HydrophobicContact CH2-SD 4.09Å; W68-M284 HydrophobicContact CZ3-CE 4.22Å; W68-M284 HydrophobicContact CZ3-SD 3.63Å; Y73-M284 HydrophobicContact CD1-CE 3.58Å; Y73-M284 HydrophobicContact CD1-CG 4.31Å; Y73-M284 HydrophobicContact CD1-SD 4.14Å; Y73-M284 HydrophobicContact CE1-CE 3.98Å; Y73-M284 HydrophobicContact CE1-CG 3.89Å; Y73-M284 HydrophobicContact CE1-SD 3.9Å; Y73-M284 HydrophobicContact CG-CE 3.93Å; M284-L288 HydrophobicContact CE-CD1 4.36Å; M284-L288 HydrophobicContact CE-CD2 4.11Å; M284-L288 HydrophobicContact SD-CD2 4.34Å; M284-L299 HydrophobicContact CG-CD1 4.27Å; M284-L299 HydrophobicContact CG-CD2 4Å; M284-L299 HydrophobicContact SD-CB 4.23Å; M284-L299 HydrophobicContact SD-CD1 3.8Å; M284-L299 HydrophobicContact SD-CD2 4.2Å; M284-L299 HydrophobicContact SD-CG 4.31Å
285S98.9Very high98.8Very high0 Ų018.8 Ų18.80%012%0.117CC..  trans-131.883.5165.5169.60000108.5L32 E35 R36 M255 L256L32-S285 VanDerWaalsContact O-CA 3.31Å; L32-S285 WeakPolarHBondContact O-CA 3.17Å; L32-S285 WeakPolarHBondContact O-CB 3.4Å; L32-S285 PolarHBondContact O-OG 2.82Å; E35-S285 WeakPolarHBondContact CA-OG 3.43Å; E35-S285 WeakPolarHBondContact CB-OG 3.36Å; E35-S285 PolarHBondContact N-OG 3.06Å; R36-S285 WeakPolarHBondContact CB-O 3.47Å; R36-S285 PolarHBondContact N-OG 2.77Å; M255-S285 VanDerWaalsContact SD-CB 3.52Å; L256-S285 PolarHBondContact O-N 2.59Å
286N98.8Very high98.8Very high1 Ų122 Ų221%0.00513%0.129CC..SBendtrans-147.7172.7-176.857.226.5000110.8W31 I258 D260 L288W31-N286 PolarHBondContact NE1-O 3.09Å; I258-N286 PolarHBondContact O-ND2 2.72Å; D260-N286 VanDerWaalsContact OD1-CA 3.26Å; D260-N286 WeakPolarHBondContact OD1-CA 2.97Å; D260-N286 VanDerWaalsContact OD1-CB 3.29Å; D260-N286 WeakPolarHBondContact OD1-CB 3.4Å; N286-L288 PolarHBondContact O-N 3.23Å; N286-L288 WeakPolarHBondContact OD1-CD2 3.41Å
287D98.9Very high98.8Very high14 Ų1425.4 Ų25.48%0.07515%0.153CC..  trans-88.397.7173.2-167.6-21.4000111.3F37 R289 T290 I291F37-D287 HydrophobicContact CZ-CB 3.92Å; D287-R289 PolarHBondContact O-N 2.94Å; D287-R289 WeakPolarHBondContact OD1-CB 3.41Å; D287-R289 WeakPolarHBondContact OD1-CG 3.4Å; D287-R289 IonicContact OD1-CZ 3.04Å; D287-R289 PolarHBondContact OD1-N 2.75Å; D287-R289 IonicContact OD1-NE 2.77Å; D287-R289 PolarHBondContact OD1-NE 3.12Å; D287-R289 IonicContact OD1-NH2 3.42Å; D287-R289 IonicContact OD2-CZ 2.76Å; D287-R289 IonicContact OD2-NE 3.89Å; D287-R289 PolarHBondContact OD2-NE 3.05Å; D287-R289 IonicContact OD2-NH2 3.37Å; D287-R289 PolarHBondContact OD2-NH2 3.38Å; D287-T290 PolarHBondContact O-N 3.05Å; D287-T290 VanDerWaalsContact O-N 3.13Å; D287-I291 PolarHBondContact O-N 2.89Å
288L98.8Very high98.7Very high0 Ų025.6 Ų25.60%015%0.154CC..THydrogen-bonded Turntrans-64.7-19-178.9-65.2176000113.5W31 M59 R62 L63 W68 M284 N286 T290 I291W31-L288 HydrophobicContact CG-CD1 4.36Å; M59-L288 HydrophobicContact SD-CB 3.91Å; M59-L288 HydrophobicContact SD-CD1 4.4Å; M59-L288 HydrophobicContact SD-CG 4.23Å; R62-L288 HydrophobicContact CB-CB 3.81Å; R62-L288 HydrophobicContact CB-CD1 4.47Å; R62-L288 HydrophobicContact CG-CB 4.17Å; L63-L288 HydrophobicContact CD1-CD1 3.27Å; L63-L288 HydrophobicContact CG-CD1 4.12Å; W68-L288 HydrophobicContact CZ2-CD2 3.88Å; M284-L288 HydrophobicContact CE-CD1 4.36Å; M284-L288 HydrophobicContact CE-CD2 4.11Å; M284-L288 HydrophobicContact SD-CD2 4.34Å; N286-L288 PolarHBondContact O-N 3.23Å; N286-L288 WeakPolarHBondContact OD1-CD2 3.41Å; L288-T290 VanDerWaalsContact C-N 3.25Å; L288-T290 PolarHBondContact O-N 3.48Å; L288-I291 HydrophobicContact CD2-CD1 4.38Å
289R98.8Very high98.8Very high62 Ų6225.5 Ų25.523%0.23415%0.154CC..THydrogen-bonded Turntrans-70.3-26.3177.3-52.3169.9-67.1-166.21.3111.6K48 N49 D58 M59 R62 D287K48-R289 PolarHBondContact O-NH1 3.27Å; K48-R289 PolarHBondContact O-NH2 2.81Å; K48-R289 VanDerWaalsContact O-NH2 3.08Å; N49-R289 PolarHBondContact OD1-NH2 3.18Å; D58-R289 WeakPolarHBondContact OD2-CD 3.35Å; D58-R289 IonicContact OD2-CZ 3.9Å; D58-R289 IonicContact OD2-NH1 3.53Å; D58-R289 PolarHBondContact OD2-NH1 3.28Å; M59-R289 HydrophobicContact CE-CG 4.23Å; R62-R289 HydrophobicContact CG-CG 4.14Å; D287-R289 PolarHBondContact O-N 2.94Å; D287-R289 WeakPolarHBondContact OD1-CB 3.41Å; D287-R289 WeakPolarHBondContact OD1-CG 3.4Å; D287-R289 IonicContact OD1-CZ 3.04Å; D287-R289 PolarHBondContact OD1-N 2.75Å; D287-R289 IonicContact OD1-NE 2.77Å; D287-R289 PolarHBondContact OD1-NE 3.12Å; D287-R289 IonicContact OD1-NH2 3.42Å; D287-R289 IonicContact OD2-CZ 2.76Å; D287-R289 IonicContact OD2-NE 3.89Å; D287-R289 PolarHBondContact OD2-NE 3.05Å; D287-R289 IonicContact OD2-NH2 3.37Å; D287-R289 PolarHBondContact OD2-NH2 3.38Å
290T98.5Very high98.8Very high107 Ų10727.8 Ų27.866%0.65616%0.164SC*.THydrogen-bonded Turntrans-128.28.7-173.658.90000114.1D287 L288 S292D287-T290 PolarHBondContact O-N 3.05Å; D287-T290 VanDerWaalsContact O-N 3.13Å; L288-T290 VanDerWaalsContact C-N 3.25Å; L288-T290 PolarHBondContact O-N 3.48Å; T290-S292 PolarHBondContact O-N 3.49Å
291I98.4Very high98.7Very high16 Ų1629.1 Ų29.18%0.08217%0.171CC..  trans-57.6133.1-178.1-168171.9000112W68 D287 L288 A295 R296 L299W68-I291 HydrophobicContact CH2-CD1 4.24Å; W68-I291 HydrophobicContact CZ2-CD1 4.32Å; W68-I291 HydrophobicContact CZ2-CG2 4.35Å; D287-I291 PolarHBondContact O-N 2.89Å; L288-I291 HydrophobicContact CD2-CD1 4.38Å; I291-A295 HydrophobicContact CD1-CB 4.1Å; I291-A295 HydrophobicContact CG1-CB 3.84Å; I291-R296 HydrophobicContact CG2-CB 4.47Å; I291-L299 HydrophobicContact CD1-CD1 3.75Å
292S98.4Very high98.7Very high62 Ų6236.8 Ų36.843%0.43421%0.205SC..  trans-65.215217974.50000112.1T290 G294 A295 R296T290-S292 PolarHBondContact O-N 3.49Å; S292-G294 PolarHBondContact O-N 2.67Å; S292-A295 PolarHBondContact O-N 2.96Å; S292-A295 WeakPolarHBondContact OG-CB 3.23Å; S292-A295 PolarHBondContact OG-N 3.05Å; S292-R296 WeakPolarHBondContact O-CB 3.23Å; S292-R296 PolarHBondContact O-N 3.14Å
293S98.3Very high98.7Very high103 Ų10339 Ų3972%0.7222%0.215SC*.Hα-helixtrans-60.3-33.1176.256.90000112.8S297S293-S297 WeakPolarHBondContact O-CB 3.27Å; S293-S297 PolarHBondContact O-N 3.35Å; S293-S297 PolarHBondContact O-OG 2.92Å
294G98.5Very high98.7Very high17 Ų1738.7 Ų38.718%0.17521%0.214CC..Hα-helixtrans-63.9-52.8175.200000111.9S292 R296 S297 I298S292-G294 PolarHBondContact O-N 2.67Å; G294-R296 PolarHBondContact O-N 3.05Å; G294-S297 PolarHBondContact O-N 2.94Å; G294-S297 PolarHBondContact O-OG 3.34Å; G294-I298 PolarHBondContact O-N 2.79Å
295A98.8Very high98.7Very high4 Ų439.3 Ų39.33%0.03322%0.217CC..Hα-helixtrans-61.9-42.8176.400000111.9I258 G259 I291 S292 S297 I298 L299I258-A295 HydrophobicContact CG2-CB 3.94Å; G259-A295 VanDerWaalsContact CA-CB 3.48Å; I291-A295 HydrophobicContact CD1-CB 4.1Å; I291-A295 HydrophobicContact CG1-CB 3.84Å; S292-A295 PolarHBondContact O-N 2.96Å; S292-A295 WeakPolarHBondContact OG-CB 3.23Å; S292-A295 PolarHBondContact OG-N 3.05Å; A295-S297 VanDerWaalsContact C-N 3.33Å; A295-S297 PolarHBondContact O-N 2.82Å; A295-I298 PolarHBondContact O-N 3.03Å; A295-L299 PolarHBondContact O-N 3.38Å; A295-L299 VanDerWaalsContact O-N 3.07Å
296R98.8Very high98.7Very high67 Ų6742.4 Ų42.425%0.25324%0.239SC..Hα-helixtrans-56.3-45.8174.8-175.9178.2-68.9-155.3-6.8111.6D66 W68 I291 S292 G294 I298 L299 Q300D66-R296 IonicContact OD1-NH1 2.71Å; D66-R296 IonicContact OD2-CZ 3.53Å; D66-R296 IonicContact OD2-NH1 3.54Å; D66-R296 IonicContact OD2-NH2 2.74Å; D66-R296 PolarHBondContact OD2-NH2 3.33Å; W68-R296 HydrophobicContact CH2-CB 4.37Å; W68-R296 HydrophobicContact CH2-CG 3.92Å; W68-R296 HydrophobicContact CZ2-CB 4.42Å; W68-R296 HydrophobicContact CZ2-CG 3.8Å; I291-R296 HydrophobicContact CG2-CB 4.47Å; S292-R296 WeakPolarHBondContact O-CB 3.23Å; S292-R296 PolarHBondContact O-N 3.14Å; G294-R296 PolarHBondContact O-N 3.05Å; R296-I298 VanDerWaalsContact C-N 3.31Å; R296-I298 PolarHBondContact O-N 2.69Å; R296-L299 PolarHBondContact O-N 3.45Å; R296-Q300 HydrophobicContact CG-CG 4.1Å; R296-Q300 VanDerWaalsContact O-CB 3.27Å; R296-Q300 WeakPolarHBondContact O-CB 3.48Å; R296-Q300 WeakPolarHBondContact O-CG 3.4Å; R296-Q300 PolarHBondContact O-N 3.19Å
297S98.6Very high98.7Very high72 Ų7242.4 Ų42.450%0.50324%0.239SC..Hα-helixtrans-66.3-30.1-179.666.60000113.9S293 G294 A295 N301S293-S297 WeakPolarHBondContact O-CB 3.27Å; S293-S297 PolarHBondContact O-N 3.35Å; S293-S297 PolarHBondContact O-OG 2.92Å; G294-S297 PolarHBondContact O-N 2.94Å; G294-S297 PolarHBondContact O-OG 3.34Å; A295-S297 VanDerWaalsContact C-N 3.33Å; A295-S297 PolarHBondContact O-N 2.82Å; S297-N301 PolarHBondContact O-N 2.74Å
298I98.9Very high98.7Very high3 Ų341.7 Ų41.72%0.01524%0.235CC..Hα-helixtrans-68.1-53.2172.9-66.6167.4000110.1I258 M265 R269 M272 G294 A295 R296 Q300 N301 Y373I258-I298 HydrophobicContact CD1-CG2 4.1Å; I258-I298 HydrophobicContact CG2-CB 4.48Å; I258-I298 HydrophobicContact CG2-CG2 4.43Å; M265-I298 HydrophobicContact SD-CD1 3.48Å; M265-I298 WeakPolarHBondContact SD-CD1 3.34Å; M265-I298 HydrophobicContact SD-CG1 4.43Å; R269-I298 HydrophobicContact CG-CD1 3.67Å; R269-I298 HydrophobicContact CG-CG1 3.96Å; M272-I298 HydrophobicContact CB-CG2 3.66Å; M272-I298 HydrophobicContact CG-CG2 3.95Å; G294-I298 PolarHBondContact O-N 2.79Å; A295-I298 PolarHBondContact O-N 3.03Å; R296-I298 VanDerWaalsContact C-N 3.31Å; R296-I298 PolarHBondContact O-N 2.69Å; I298-Q300 VanDerWaalsContact C-N 3.32Å; I298-Q300 PolarHBondContact O-N 3.34Å; I298-N301 WeakPolarHBondContact O-CB 3.35Å; I298-N301 PolarHBondContact O-N 2.86Å; I298-Y373 HydrophobicContact CG2-CE1 4.45Å
299L98.9Very high98.7Very high0 Ų043.8 Ų43.80%025%0.245CC..Hα-helixtrans-69-30.1-175.2-69.5163.2000112.2W68 Y73 L256 I258 M272 M284 I291 A295 R296W68-L299 HydrophobicContact CH2-CB 3.83Å; W68-L299 HydrophobicContact CH2-CD1 4.24Å; W68-L299 HydrophobicContact CZ3-CB 3.56Å; Y73-L299 PolarHBondContact OH-O 3Å; L256-L299 HydrophobicContact CB-CD2 4.46Å; L256-L299 HydrophobicContact CD1-CD2 3.66Å; I258-L299 HydrophobicContact CB-CD1 4.04Å; I258-L299 HydrophobicContact CB-CD2 4.05Å; I258-L299 HydrophobicContact CB-CG 4.06Å; I258-L299 HydrophobicContact CD1-CD2 3.79Å; I258-L299 HydrophobicContact CD1-CG 4.37Å; I258-L299 HydrophobicContact CG2-CD1 3.85Å; I258-L299 HydrophobicContact CG2-CD2 4.32Å; I258-L299 HydrophobicContact CG2-CG 3.81Å; M272-L299 HydrophobicContact SD-CD2 4.19Å; M284-L299 HydrophobicContact CG-CD1 4.27Å; M284-L299 HydrophobicContact CG-CD2 4Å; M284-L299 HydrophobicContact SD-CB 4.23Å; M284-L299 HydrophobicContact SD-CD1 3.8Å; M284-L299 HydrophobicContact SD-CD2 4.2Å; M284-L299 HydrophobicContact SD-CG 4.31Å; I291-L299 HydrophobicContact CD1-CD1 3.75Å; A295-L299 PolarHBondContact O-N 3.38Å; A295-L299 VanDerWaalsContact O-N 3.07Å; R296-L299 PolarHBondContact O-N 3.45Å
300Q98.9Very high98.7Very high48 Ų4841.5 Ų41.522%0.22424%0.237CC..THydrogen-bonded Turntrans-89.75.5178.1-66.2-167.4-18.100114.4D66 W68 L71 R296 I298 K302D66-Q300 PolarHBondContact O-NE2 3.06Å; W68-Q300 HydrophobicContact CD2-CG 4.24Å; W68-Q300 HydrophobicContact CE3-CG 3.59Å; W68-Q300 HydrophobicContact CH2-CG 3.63Å; W68-Q300 HydrophobicContact CZ2-CG 4.25Å; W68-Q300 HydrophobicContact CZ3-CB 4.46Å; W68-Q300 HydrophobicContact CZ3-CG 3.24Å; L71-Q300 HydrophobicContact CD1-CB 3.47Å; L71-Q300 VanDerWaalsContact CD1-CB 3.47Å; L71-Q300 HydrophobicContact CD1-CG 3.53Å; R296-Q300 HydrophobicContact CG-CG 4.1Å; R296-Q300 VanDerWaalsContact O-CB 3.27Å; R296-Q300 WeakPolarHBondContact O-CB 3.48Å; R296-Q300 WeakPolarHBondContact O-CG 3.4Å; R296-Q300 PolarHBondContact O-N 3.19Å; I298-Q300 VanDerWaalsContact C-N 3.32Å; I298-Q300 PolarHBondContact O-N 3.34Å; Q300-K302 PolarHBondContact O-N 3.09Å; Q300-K302 VanDerWaalsContact O-N 3.08Å
301N98.9Very high98.7Very high28 Ų2840.7 Ų40.715%0.1523%0.234CC..  trans-65.4114.6-177.2177.5-46.3000110.7S297 I298 M303 I304 I305 V372S297-N301 PolarHBondContact O-N 2.74Å; I298-N301 WeakPolarHBondContact O-CB 3.35Å; I298-N301 PolarHBondContact O-N 2.86Å; N301-M303 VanDerWaalsContact C-N 3.29Å; N301-M303 PolarHBondContact O-N 3.37Å; N301-M303 PolarHBondContact OD1-N 3.45Å; N301-I304 HydrophobicContact CB-CG2 3.63Å; N301-I304 VanDerWaalsContact O-CG2 3.25Å; N301-I304 WeakPolarHBondContact O-CG2 3.24Å; N301-I304 PolarHBondContact O-N 3.22Å; N301-I304 PolarHBondContact OD1-N 2.91Å; N301-I305 WeakPolarHBondContact O-CB 3.26Å; N301-I305 WeakPolarHBondContact O-CD1 3.45Å; N301-I305 VanDerWaalsContact O-CG1 3.23Å; N301-I305 WeakPolarHBondContact O-CG1 3.32Å; N301-I305 PolarHBondContact O-N 3.4Å; N301-I305 VanDerWaalsContact O-N 3.07Å; N301-V372 PolarHBondContact ND2-O 3.4Å
302K98.8Very high98.7Very high162 Ų16243.8 Ų43.870%0.70425%0.25SS*.Hα-helixtrans-64.9-31.9-173.5-67.1179.9179.8179.80113.4L71 Q300 S306L71-K302 HydrophobicContact CD2-CD 4.34Å; L71-K302 HydrophobicContact CD2-CG 3.67Å; Q300-K302 PolarHBondContact O-N 3.09Å; Q300-K302 VanDerWaalsContact O-N 3.08Å; K302-S306 WeakPolarHBondContact O-CB 3.32Å; K302-S306 PolarHBondContact O-N 3.06Å; K302-S306 PolarHBondContact O-OG 3.17Å
303M98.7Very high98.7Very high46 Ų4640.9 Ų40.923%0.22723%0.23CC..Hα-helixtrans-77-39.7-178-172176.1-53.100111.5N301 I305 S306 I307 T370 V372N301-M303 VanDerWaalsContact C-N 3.29Å; N301-M303 PolarHBondContact O-N 3.37Å; N301-M303 PolarHBondContact OD1-N 3.45Å; M303-I305 VanDerWaalsContact C-N 3.34Å; M303-S306 PolarHBondContact O-N 2.81Å; M303-S306 PolarHBondContact O-OG 3.29Å; M303-I307 HydrophobicContact CG-CD1 4.33Å; M303-I307 WeakPolarHBondContact O-CD1 3.17Å; M303-I307 VanDerWaalsContact O-CG1 3.25Å; M303-I307 WeakPolarHBondContact O-CG1 3.28Å; M303-I307 PolarHBondContact O-N 3.34Å; M303-T370 HydrophobicContact CE-CG2 3.68Å; M303-T370 HydrophobicContact SD-CG2 3.99Å; M303-V372 HydrophobicContact CB-CG1 4.18Å; M303-V372 HydrophobicContact CG-CG1 4.31Å; M303-V372 HydrophobicContact CG-CG2 4.08Å; M303-V372 HydrophobicContact SD-CB 4.32Å; M303-V372 HydrophobicContact SD-CG2 3.78Å
304I98.8Very high98.7Very high0 Ų039.6 Ų39.60%021%0.214CC..Hα-helixtrans-69.4-35.9175.1-159.6155.5000111.5M272 A273 A276 N301 I307 N308 V372 Y373 M397M272-I304 HydrophobicContact CB-CD1 4.06Å; M272-I304 HydrophobicContact CE-CG2 3.51Å; M272-I304 HydrophobicContact CG-CD1 3.49Å; M272-I304 VanDerWaalsContact CG-CD1 3.49Å; M272-I304 HydrophobicContact CG-CG1 4.02Å; M272-I304 HydrophobicContact CG-CG2 3.99Å; A273-I304 HydrophobicContact CB-CD1 4.35Å; A276-I304 HydrophobicContact CB-CD1 4.46Å; A276-I304 HydrophobicContact CB-CG1 3.73Å; N301-I304 HydrophobicContact CB-CG2 3.63Å; N301-I304 VanDerWaalsContact O-CG2 3.25Å; N301-I304 WeakPolarHBondContact O-CG2 3.24Å; N301-I304 PolarHBondContact O-N 3.22Å; N301-I304 PolarHBondContact OD1-N 2.91Å; I304-I307 PolarHBondContact O-N 3.35Å; I304-N308 PolarHBondContact O-N 3.4Å; I304-V372 HydrophobicContact CB-CG1 3.77Å; I304-V372 HydrophobicContact CD1-CG1 4.38Å; I304-V372 HydrophobicContact CG1-CG1 4.41Å; I304-Y373 WeakPolarHBondContact CD1-OH 3.29Å; I304-M397 HydrophobicContact CD1-CE 4.21Å; I304-M397 HydrophobicContact CD1-SD 3.55Å; I304-M397 VanDerWaalsContact CD1-SD 3.55Å; I304-M397 HydrophobicContact CG1-CE 3.95Å; I304-M397 HydrophobicContact CG1-SD 3.97Å
305I98.9Very high98.7Very high13 Ų1339.1 Ų39.17%0.06721%0.207CC..Hα-helixtrans-63-46.5173.1-69.5168.5000110.2M29 L71 Y73 M272 N301 M303 I307 N308 Q309M29-I305 HydrophobicContact CE-CD1 4.15Å; M29-I305 HydrophobicContact CE-CG1 4.03Å; M29-I305 HydrophobicContact CE-CG2 3.75Å; M29-I305 HydrophobicContact SD-CG2 3.95Å; L71-I305 HydrophobicContact CB-CD1 4Å; L71-I305 HydrophobicContact CD1-CD1 4.46Å; L71-I305 HydrophobicContact CD2-CD1 4.37Å; Y73-I305 HydrophobicContact CE2-CD1 3.96Å; M272-I305 HydrophobicContact CE-CG1 4.31Å; N301-I305 WeakPolarHBondContact O-CB 3.26Å; N301-I305 WeakPolarHBondContact O-CD1 3.45Å; N301-I305 VanDerWaalsContact O-CG1 3.23Å; N301-I305 WeakPolarHBondContact O-CG1 3.32Å; N301-I305 PolarHBondContact O-N 3.4Å; N301-I305 VanDerWaalsContact O-N 3.07Å; M303-I305 VanDerWaalsContact C-N 3.34Å; I305-I307 VanDerWaalsContact C-N 3.28Å; I305-I307 PolarHBondContact O-N 2.74Å; I305-N308 WeakPolarHBondContact O-CB 3.43Å; I305-N308 PolarHBondContact O-N 3.37Å; I305-N308 VanDerWaalsContact O-N 3.12Å; I305-Q309 HydrophobicContact CG2-CG 4.06Å; I305-Q309 VanDerWaalsContact O-CB 3.3Å; I305-Q309 WeakPolarHBondContact O-CB 3.42Å; I305-Q309 VanDerWaalsContact O-CG 3.3Å; I305-Q309 WeakPolarHBondContact O-CG 3.29Å; I305-Q309 PolarHBondContact O-N 3.49Å
306S98.8Very high98.7Very high65 Ų6539 Ų3946%0.45521%0.206SC..Hα-helixtrans-64.8-32.8179.172.20000112.9K302 M303 Q309 D310K302-S306 WeakPolarHBondContact O-CB 3.32Å; K302-S306 PolarHBondContact O-N 3.06Å; K302-S306 PolarHBondContact O-OG 3.17Å; M303-S306 PolarHBondContact O-N 2.81Å; M303-S306 PolarHBondContact O-OG 3.29Å; S306-Q309 CarbonylContact O-C 3.47Å; S306-D310 PolarHBondContact O-N 3.28Å; S306-D310 VanDerWaalsContact O-N 3.14Å
307I98.9Very high98.7Very high1 Ų139.1 Ų39.11%0.00521%0.207CC..Hα-helixtrans-65.2-47.5170.8-70.7165.1000110.5A276 M303 I304 I305 Q309 D310 R331 L333 A339 V372 M397 Y399A276-I307 HydrophobicContact CB-CG2 4.43Å; M303-I307 HydrophobicContact CG-CD1 4.33Å; M303-I307 WeakPolarHBondContact O-CD1 3.17Å; M303-I307 VanDerWaalsContact O-CG1 3.25Å; M303-I307 WeakPolarHBondContact O-CG1 3.28Å; M303-I307 PolarHBondContact O-N 3.34Å; I304-I307 PolarHBondContact O-N 3.35Å; I305-I307 VanDerWaalsContact C-N 3.28Å; I305-I307 PolarHBondContact O-N 2.74Å; I307-Q309 VanDerWaalsContact C-N 3.33Å; I307-Q309 PolarHBondContact O-N 3.04Å; I307-D310 WeakPolarHBondContact O-CB 3.4Å; I307-D310 PolarHBondContact O-N 3.28Å; I307-R331 VanDerWaalsContact O-CZ 3.28Å; I307-R331 PolarHBondContact O-NH1 3.28Å; I307-L333 HydrophobicContact CG1-CD1 3.93Å; I307-L333 HydrophobicContact CG2-CD1 4.34Å; I307-L333 HydrophobicContact CG2-CD2 4.17Å; I307-A339 HydrophobicContact CD1-CB 4.11Å; I307-A339 HydrophobicContact CG1-CB 4.4Å; I307-A339 HydrophobicContact CG2-CB 3.59Å; I307-V372 HydrophobicContact CD1-CG2 3.87Å; I307-M397 HydrophobicContact CB-CE 4.36Å; I307-M397 HydrophobicContact CD1-CE 3.6Å; I307-M397 HydrophobicContact CG2-CE 3.87Å; I307-Y399 HydrophobicContact CD1-CD2 4.18Å; I307-Y399 HydrophobicContact CG1-CD2 4.07Å
308N98.9Very high98.7Very high0 Ų036.8 Ų36.80%019%0.187CC..Hα-helixtrans-58.2-47.5177.4176.1-93.4000111.2A276 A280 L282 I304 I305 D310 R331A276-N308 HydrophobicContact CB-CB 4.18Å; A280-N308 PolarHBondContact O-ND2 2.9Å; L282-N308 HydrophobicContact CD1-CB 3.85Å; L282-N308 VanDerWaalsContact CD1-CG 3.48Å; L282-N308 WeakPolarHBondContact CD1-OD1 3.37Å; L282-N308 HydrophobicContact CG-CB 4.48Å; I304-N308 PolarHBondContact O-N 3.4Å; I305-N308 WeakPolarHBondContact O-CB 3.43Å; I305-N308 PolarHBondContact O-N 3.37Å; I305-N308 VanDerWaalsContact O-N 3.12Å; N308-D310 VanDerWaalsContact C-N 3.28Å; N308-D310 PolarHBondContact O-N 3.41Å; N308-R331 VanDerWaalsContact CA-NH1 3.34Å; N308-R331 PolarHBondContact O-NH1 3Å; N308-R331 PolarHBondContact O-NH2 3.48Å; N308-R331 VanDerWaalsContact O-NH2 3.12Å
309Q98.9Very high98.7Very high44 Ų4439.5 Ų39.521%0.20620%0.201CC..THydrogen-bonded Turntrans-83.714.4-176.7-62.8-64.8-69.800114.4T26 P27 M29 I305 S306 I307T26-Q309 WeakPolarHBondContact CG2-O 3.36Å; T26-Q309 PolarHBondContact OG1-OE1 3.38Å; P27-Q309 PolarHBondContact O-NE2 3.45Å; M29-Q309 HydrophobicContact SD-CG 3.54Å; M29-Q309 VanDerWaalsContact SD-CG 3.54Å; I305-Q309 HydrophobicContact CG2-CG 4.06Å; I305-Q309 VanDerWaalsContact O-CB 3.3Å; I305-Q309 WeakPolarHBondContact O-CB 3.42Å; I305-Q309 VanDerWaalsContact O-CG 3.3Å; I305-Q309 WeakPolarHBondContact O-CG 3.29Å; I305-Q309 PolarHBondContact O-N 3.49Å; S306-Q309 CarbonylContact O-C 3.47Å; I307-Q309 VanDerWaalsContact C-N 3.33Å; I307-Q309 PolarHBondContact O-N 3.04Å
310D98.8Very high98.7Very high13 Ų1342.1 Ų42.17%0.0721%0.214CC..  trans-57.6129178.7177.7-93.6000111.5S306 I307 N308 L312 G313 L333 S334S306-D310 PolarHBondContact O-N 3.28Å; S306-D310 VanDerWaalsContact O-N 3.14Å; I307-D310 WeakPolarHBondContact O-CB 3.4Å; I307-D310 PolarHBondContact O-N 3.28Å; N308-D310 VanDerWaalsContact C-N 3.28Å; N308-D310 PolarHBondContact O-N 3.41Å; D310-L312 PolarHBondContact O-N 2.79Å; D310-L312 VanDerWaalsContact OD1-CB 3.22Å; D310-L312 WeakPolarHBondContact OD1-CB 3.08Å; D310-L312 WeakPolarHBondContact OD1-CG 3.31Å; D310-L312 PolarHBondContact OD1-N 2.8Å; D310-G313 PolarHBondContact O-N 3.29Å; D310-L333 HydrophobicContact CB-CD2 3.65Å; D310-S334 PolarHBondContact OD1-N 2.94Å; D310-S334 PolarHBondContact OD1-OG 3.36Å; D310-S334 WeakPolarHBondContact OD2-CB 3.39Å; D310-S334 PolarHBondContact OD2-N 2.72Å; D310-S334 PolarHBondContact OD2-OG 3.44Å
311P98.1Very high98.6Very high90 Ų9045 Ų4558%0.58423%0.227SC*.THydrogen-bonded Turntrans-71.9-12-169.728.4-37000114.4G313 S334P311-G313 PolarHBondContact O-N 3.41Å; P311-S334 WeakPolarHBondContact CD-OG 3.07Å; P311-S334 WeakPolarHBondContact CG-OG 3.23Å
312L98Very high98.5Very high82 Ų8247.7 Ų47.743%0.42924%0.238SC..THydrogen-bonded Turntrans-66.8-26.8169.3-60.4-176.1000111.1D310 I314 L333D310-L312 PolarHBondContact O-N 2.79Å; D310-L312 VanDerWaalsContact OD1-CB 3.22Å; D310-L312 WeakPolarHBondContact OD1-CB 3.08Å; D310-L312 WeakPolarHBondContact OD1-CG 3.31Å; D310-L312 PolarHBondContact OD1-N 2.8Å; L312-I314 HydrophobicContact CB-CD1 3.98Å; L312-I314 HydrophobicContact CB-CG1 3.97Å; L312-I314 HydrophobicContact CD1-CD1 4.05Å; L312-I314 PolarHBondContact O-N 3.45Å; L312-I314 VanDerWaalsContact O-N 3.16Å; L312-L333 VanDerWaalsContact CD1-C 3.47Å
313G98.3Very high98.4Very high1 Ų150.5 Ų50.51%0.0125%0.25CS..  trans62.221.7178.900000114.3W250 D310 P311 Q315W250-G313 VanDerWaalsContact CH2-CA 3.48Å; W250-G313 WeakPolarHBondContact CZ3-O 3.19Å; D310-G313 PolarHBondContact O-N 3.29Å; P311-G313 PolarHBondContact O-N 3.41Å; G313-Q315 PolarHBondContact O-N 2.91Å
314I98.8Very high98.4Very high75 Ų7549.4 Ų49.439%0.38525%0.247SC..  trans-80.5118.6-179.2-58.8168.5000108.8L312 R331 P332L312-I314 HydrophobicContact CB-CD1 3.98Å; L312-I314 HydrophobicContact CB-CG1 3.97Å; L312-I314 HydrophobicContact CD1-CD1 4.05Å; L312-I314 PolarHBondContact O-N 3.45Å; L312-I314 VanDerWaalsContact O-N 3.16Å; I314-R331 WeakPolarHBondContact O-CG 3.14Å; I314-R331 PolarHBondContact O-NE 2.8Å; I314-P332 HydrophobicContact CB-CG 3.93Å; I314-P332 HydrophobicContact CD1-CG 4.09Å; I314-P332 HydrophobicContact CG2-CG 3.5Å; I314-P332 VanDerWaalsContact CG2-CG 3.5Å
315Q98.8Very high98.3Very high7 Ų750.4 Ų50.43%0.03326%0.258CS..  trans-65.7131.8170.9171.3165-19.200110.7A242 A245 N251 M278 A279 G313A242-Q315 HydrophobicContact CB-CB 4.4Å; A242-Q315 HydrophobicContact CB-CG 4.13Å; A245-Q315 HydrophobicContact CB-CB 3.92Å; N251-Q315 PolarHBondContact ND2-OE1 3.02Å; M278-Q315 VanDerWaalsContact O-CD 3.23Å; M278-Q315 WeakPolarHBondContact O-CG 3.41Å; M278-Q315 PolarHBondContact O-OE1 3.42Å; A279-Q315 HydrophobicContact CB-CB 4.28Å; G313-Q315 PolarHBondContact O-N 2.91Å
316G98.8Very high98.3Very high1 Ų149.8 Ų49.81%0.0125%0.254CS..  trans-76.2178.317800000113.6I277 W330I277-G316 VanDerWaalsContact O-CA 3.23Å; I277-G316 WeakPolarHBondContact O-CA 3.33Å; I277-G316 PolarHBondContact O-N 3.28Å; G316-W330 CarbonylContact C-O 3.54Å; G316-W330 VanDerWaalsContact CA-O 3.24Å; G316-W330 WeakPolarHBondContact CA-O 3.34Å
317R98.8Very high98.3Very high70 Ų7047.2 Ų47.226%0.26424%0.235SC..EExtended strand (participates in β ladder)trans-140.6153.5-169.2-59.3-175.567.981.51.9111.1Q238 D239 A242 F329 W330Q238-R317 PolarHBondContact O-NH1 3.43Å; Q238-R317 VanDerWaalsContact OE1-CA 3.27Å; Q238-R317 VanDerWaalsContact OE1-CB 3.3Å; D239-R317 IonicContact OD1-CZ 3.61Å; D239-R317 IonicContact OD1-NH1 2.64Å; D239-R317 IonicContact OD1-NH2 4Å; D239-R317 PolarHBondContact OD1-NH2 3.16Å; A242-R317 HydrophobicContact CB-CG 4.41Å; R317-F329 CarbonylContact O-C 3.45Å; R317-F329 VanDerWaalsContact O-CA 3.26Å; R317-F329 WeakPolarHBondContact O-CA 3.36Å; R317-W330 PolarHBondContact N-O 2.76Å; R317-W330 PolarHBondContact O-N 2.89Å
318R98.8Very high98.3Very high24 Ų2447.1 Ų47.19%0.09124%0.235CC..EExtended strand (participates in β ladder)trans-78.2122.4161-171.9168.552.1-150.8-9.6108.5D232 F235 Q238 K321 E327 F329D232-R318 IonicContact OD1-NH1 3.94Å; F235-R318 VanDerWaalsContact C-NH2 3.31Å; F235-R318 HydrophobicContact CB-CB 4.13Å; F235-R318 HydrophobicContact CD1-CB 4.06Å; F235-R318 HydrophobicContact CG-CB 4.25Å; F235-R318 PolarHBondContact O-NH2 3.18Å; F235-R318 VanDerWaalsContact O-NH2 3.09Å; Q238-R318 PolarHBondContact NE2-O 3.49Å; Q238-R318 VanDerWaalsContact NE2-O 3.11Å; R318-K321 VanDerWaalsContact NH2-CE 3.29Å; R318-E327 WeakPolarHBondContact CD-OE2 3.33Å; R318-E327 IonicContact CZ-OE2 3.36Å; R318-E327 IonicContact NE-OE2 3.64Å; R318-E327 IonicContact NH1-OE1 3.06Å; R318-E327 IonicContact NH1-OE2 2.91Å; R318-E327 PolarHBondContact NH1-OE2 3.46Å; R318-F329 HydrophobicContact CB-CD1 3.55Å; R318-F329 HydrophobicContact CB-CE1 3.5Å; R318-F329 HydrophobicContact CB-CZ 4.47Å; R318-F329 HydrophobicContact CG-CD1 3.93Å; R318-F329 HydrophobicContact CG-CE1 3.65Å; R318-F329 HydrophobicContact CG-CZ 4.17Å
319I98.4Very high98.3Very high59 Ų5947.2 Ų47.230%0.30324%0.235SC..EExtended strand (participates in β ladder)trans-103.2-23.1-178.159.7164.4000112.7V328 W330 L340 L360I319-V328 HydrophobicContact CD1-CG1 3.99Å; I319-V328 HydrophobicContact CG1-CB 4.09Å; I319-V328 HydrophobicContact CG1-CG1 4.02Å; I319-V328 VanDerWaalsContact CG1-O 3.27Å; I319-V328 WeakPolarHBondContact CG1-O 3.31Å; I319-V328 PolarHBondContact N-O 2.92Å; I319-W330 HydrophobicContact CD1-CB 3.91Å; I319-W330 HydrophobicContact CG1-CB 4.23Å; I319-W330 HydrophobicContact CG2-CB 3.87Å; I319-L340 HydrophobicContact CD1-CD1 4.36Å; I319-L360 HydrophobicContact CD1-CB 4.39Å
320L97.8Very high98.3Very high55 Ų5549.1 Ų49.129%0.28824%0.24SC..EExtended strand (participates in β ladder)trans-145.2146.7179-65.8171.7000112.3E327 V328 L360L320-E327 WeakPolarHBondContact O-CA 3.26Å; L320-V328 HydrophobicContact CB-CB 4.07Å; L320-V328 HydrophobicContact CB-CG2 4.2Å; L320-V328 HydrophobicContact CD1-CB 4.39Å; L320-V328 HydrophobicContact CD1-CG2 4.23Å; L320-V328 PolarHBondContact N-O 2.98Å; L320-V328 PolarHBondContact O-N 2.81Å; L320-L360 HydrophobicContact CD1-CD2 3.28Å
321K97.6Very high98.3Very high110 Ų11048.5 Ų48.548%0.47824%0.237SC..EExtended strand (participates in β ladder)trans-128.8119.3162.5-73-164179.3-172.20108.5E236 R318 E327E236-K321 IonicContact OE1-NZ 3.69Å; R318-K321 VanDerWaalsContact NH2-CE 3.29Å; K321-E327 WeakPolarHBondContact CE-OE1 3.29Å; K321-E327 HydrophobicContact CG-CG 4.07Å; K321-E327 IonicContact NZ-OE1 3.27Å
322E97.1Very high98.3Very high84 Ų8445.5 Ų45.539%0.39322%0.218SC..  trans-99.9149.6-179.3-66.4-76.4-168.700111.6S324 G325 I326 Y353E322-S324 WeakPolarHBondContact CB-OG 3.49Å; E322-S324 PolarHBondContact O-N 3.44Å; E322-S324 VanDerWaalsContact O-N 3.1Å; E322-G325 PolarHBondContact O-N 3.41Å; E322-I326 HydrophobicContact CB-CB 4.42Å; E322-I326 WeakPolarHBondContact CB-O 3.41Å; E322-I326 PolarHBondContact N-O 2.66Å; E322-Y353 HydrophobicContact CG-CE2 3.92Å; E322-Y353 PolarHBondContact OE1-OH 3.03Å
323K97.1Very high98.3Very high220 Ų22042 Ų4296%0.95720%0.199SC*.THydrogen-bonded Turntrans-61.1-20173.8-67.6-175.5-179.81800113.1G325K323-G325 PolarHBondContact O-N 2.94Å
324S97.1Very high98.2Very high24 Ų2442.8 Ų42.817%0.16821%0.205CC..THydrogen-bonded Turntrans-70.6-9.2174.657.90000113.7E322 R346 Y351E322-S324 WeakPolarHBondContact CB-OG 3.49Å; E322-S324 PolarHBondContact O-N 3.44Å; E322-S324 VanDerWaalsContact O-N 3.1Å; S324-R346 WeakPolarHBondContact O-CD 3.17Å; S324-R346 WeakPolarHBondContact O-CG 3.42Å; S324-R346 PolarHBondContact O-NH1 2.89Å; S324-Y351 WeakPolarHBondContact CB-OH 3.47Å
325G97.8Very high98Very high21 Ų2146.6 Ų46.622%0.21623%0.226CC..SBendtrans84.414.4-172.700000113.5E322 K323 R345E322-G325 PolarHBondContact O-N 3.41Å; K323-G325 PolarHBondContact O-N 2.94Å; G325-R345 VanDerWaalsContact O-CB 3.26Å; G325-R345 WeakPolarHBondContact O-CB 3.36Å; G325-R345 PolarHBondContact O-N 2.74Å
326I98.7Very high97.6Very high0 Ų052 Ų520%026%0.255CS..EExtended strand (participates in β ladder)trans-92.5130.5171.5-58.2-57.3000109.6E322 V328 F343 Y351 Y353 V390E322-I326 HydrophobicContact CB-CB 4.42Å; E322-I326 WeakPolarHBondContact CB-O 3.41Å; E322-I326 PolarHBondContact N-O 2.66Å; I326-V328 HydrophobicContact CG2-CG2 4.44Å; I326-F343 WeakPolarHBondContact CA-O 3.39Å; I326-Y351 HydrophobicContact CD1-CD1 3.85Å; I326-Y351 HydrophobicContact CD1-CG 4.41Å; I326-Y351 HydrophobicContact CG1-CD1 3.64Å; I326-Y351 HydrophobicContact CG1-CE1 3.93Å; I326-Y353 HydrophobicContact CB-CD2 4.21Å; I326-Y353 HydrophobicContact CB-CE2 4.48Å; I326-Y353 HydrophobicContact CB-CG 4.48Å; I326-Y353 HydrophobicContact CG1-CD2 4.15Å; I326-Y353 HydrophobicContact CG1-CG 4.32Å; I326-Y353 HydrophobicContact CG2-CD1 4.07Å; I326-Y353 HydrophobicContact CG2-CD2 4.12Å; I326-Y353 HydrophobicContact CG2-CE1 4.27Å; I326-Y353 HydrophobicContact CG2-CE2 4.33Å; I326-Y353 HydrophobicContact CG2-CG 3.99Å; I326-V390 HydrophobicContact CD1-CB 4.45Å
327E98.8Very high97.5Very high10 Ų1052.2 Ų52.25%0.04726%0.257CS..EExtended strand (participates in β ladder)trans-110.6143.9168.5-56.9-167.9175.900109.2R318 L320 K321 F329 F343 R345R318-E327 WeakPolarHBondContact CD-OE2 3.33Å; R318-E327 IonicContact CZ-OE2 3.36Å; R318-E327 IonicContact NE-OE2 3.64Å; R318-E327 IonicContact NH1-OE1 3.06Å; R318-E327 IonicContact NH1-OE2 2.91Å; R318-E327 PolarHBondContact NH1-OE2 3.46Å; L320-E327 WeakPolarHBondContact O-CA 3.26Å; K321-E327 WeakPolarHBondContact CE-OE1 3.29Å; K321-E327 HydrophobicContact CG-CG 4.07Å; K321-E327 IonicContact NZ-OE1 3.27Å; E327-F329 HydrophobicContact CB-CE2 3.69Å; E327-F329 HydrophobicContact CB-CZ 3.93Å; E327-F329 VanDerWaalsContact OE2-CZ 3.31Å; E327-F329 WeakPolarHBondContact OE2-CZ 3.3Å; E327-F343 HydrophobicContact CB-CD1 4.28Å; E327-F343 PolarHBondContact N-O 2.95Å; E327-F343 PolarHBondContact O-N 3.5Å; E327-R345 VanDerWaalsContact CD-NE 3.32Å; E327-R345 HydrophobicContact CG-CG 4.16Å; E327-R345 IonicContact OE1-CZ 3.98Å; E327-R345 IonicContact OE1-NE 3.11Å; E327-R345 PolarHBondContact OE1-NE 2.71Å; E327-R345 IonicContact OE1-NH2 2.59Å; E327-R345 PolarHBondContact OE1-NH2 3.36Å; E327-R345 IonicContact OE2-CZ 3.57Å; E327-R345 IonicContact OE2-NE 2.7Å; E327-R345 IonicContact OE2-NH2 2.59Å; E327-R345 PolarHBondContact OE2-NH2 2.96Å
328V98.9Very high97.5Very high0 Ų049.1 Ų49.10%025%0.246CC..EExtended strand (participates in β ladder)trans-119.2127.9176.3-170.60000109.1I319 L320 I326 L340 V341 F342 Y353 L360I319-V328 HydrophobicContact CD1-CG1 3.99Å; I319-V328 HydrophobicContact CG1-CB 4.09Å; I319-V328 HydrophobicContact CG1-CG1 4.02Å; I319-V328 VanDerWaalsContact CG1-O 3.27Å; I319-V328 WeakPolarHBondContact CG1-O 3.31Å; I319-V328 PolarHBondContact N-O 2.92Å; L320-V328 HydrophobicContact CB-CB 4.07Å; L320-V328 HydrophobicContact CB-CG2 4.2Å; L320-V328 HydrophobicContact CD1-CB 4.39Å; L320-V328 HydrophobicContact CD1-CG2 4.23Å; L320-V328 PolarHBondContact N-O 2.98Å; L320-V328 PolarHBondContact O-N 2.81Å; I326-V328 HydrophobicContact CG2-CG2 4.44Å; V328-L340 HydrophobicContact CG1-CD1 3.6Å; V328-L340 HydrophobicContact CG1-CG 4.22Å; V328-V341 CarbonylContact C-O 3.47Å; V328-V341 WeakPolarHBondContact CA-O 3.35Å; V328-F342 HydrophobicContact CG1-CD1 4.25Å; V328-F342 HydrophobicContact CG1-CE1 4.27Å; V328-F342 HydrophobicContact CG2-CD1 3.94Å; V328-F342 HydrophobicContact CG2-CE1 4.36Å; V328-Y353 HydrophobicContact CG2-CE1 4.06Å; V328-L360 HydrophobicContact CG1-CD1 4.41Å; V328-L360 HydrophobicContact CG1-CD2 4.22Å; V328-L360 HydrophobicContact CG2-CD2 4.45Å
329F98.9Very high97.5Very high1 Ų148 Ų480%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-117.3147.6177.6-52.1-97.3000110.9F235 L274 I277 R317 R318 E327 L340 V341 F343F235-F329 HydrophobicContact CB-CE1 4.25Å; F235-F329 AromaticContact CD1-CD1 3.8Å; F235-F329 HydrophobicContact CD1-CD1 3.8Å; F235-F329 AromaticContact CD1-CE1 3.77Å; F235-F329 HydrophobicContact CD1-CE1 3.77Å; F235-F329 HydrophobicContact CD2-CD1 4.01Å; F235-F329 AromaticContact CD2-CE1 3.29Å; F235-F329 HydrophobicContact CD2-CE1 3.29Å; F235-F329 HydrophobicContact CD2-CZ 4.08Å; F235-F329 AromaticContact CE1-CD1 3.51Å; F235-F329 HydrophobicContact CE1-CD1 3.51Å; F235-F329 AromaticContact CE1-CE1 3.83Å; F235-F329 HydrophobicContact CE1-CE1 3.83Å; F235-F329 AromaticContact CE2-CD1 3.75Å; F235-F329 HydrophobicContact CE2-CD1 3.75Å; F235-F329 AromaticContact CE2-CE1 3.37Å; F235-F329 HydrophobicContact CE2-CE1 3.37Å; F235-F329 HydrophobicContact CE2-CZ 4.12Å; F235-F329 HydrophobicContact CG-CD1 4.05Å; F235-F329 AromaticContact CG-CE1 3.51Å; F235-F329 HydrophobicContact CG-CE1 3.51Å; F235-F329 AromaticContact CZ-CD1 3.48Å; F235-F329 HydrophobicContact CZ-CD1 3.48Å; F235-F329 VanDerWaalsContact CZ-CD1 3.48Å; F235-F329 AromaticContact CZ-CE1 3.64Å; F235-F329 HydrophobicContact CZ-CE1 3.64Å; F235-F329 HydrophobicContact CZ-CG 4.42Å; L274-F329 HydrophobicContact CD2-CD1 4.31Å; L274-F329 HydrophobicContact CD2-CD2 3.69Å; L274-F329 HydrophobicContact CD2-CE1 4.21Å; L274-F329 HydrophobicContact CD2-CE2 3.56Å; L274-F329 HydrophobicContact CD2-CG 4.07Å; L274-F329 HydrophobicContact CD2-CZ 3.84Å; I277-F329 HydrophobicContact CG1-CB 4.28Å; I277-F329 HydrophobicContact CG2-CB 3.92Å; R317-F329 CarbonylContact O-C 3.45Å; R317-F329 VanDerWaalsContact O-CA 3.26Å; R317-F329 WeakPolarHBondContact O-CA 3.36Å; R318-F329 HydrophobicContact CB-CD1 3.55Å; R318-F329 HydrophobicContact CB-CE1 3.5Å; R318-F329 HydrophobicContact CB-CZ 4.47Å; R318-F329 HydrophobicContact CG-CD1 3.93Å; R318-F329 HydrophobicContact CG-CE1 3.65Å; R318-F329 HydrophobicContact CG-CZ 4.17Å; E327-F329 HydrophobicContact CB-CE2 3.69Å; E327-F329 HydrophobicContact CB-CZ 3.93Å; E327-F329 VanDerWaalsContact OE2-CZ 3.31Å; E327-F329 WeakPolarHBondContact OE2-CZ 3.3Å; F329-L340 CarbonylContact O-C 3.57Å; F329-L340 WeakPolarHBondContact O-CA 3.19Å; F329-V341 HydrophobicContact CB-CB 4.25Å; F329-V341 HydrophobicContact CD2-CB 4.36Å; F329-V341 HydrophobicContact CD2-CG1 4.33Å; F329-V341 PolarHBondContact N-O 3.27Å; F329-V341 PolarHBondContact O-N 2.58Å; F329-F343 HydrophobicContact CD2-CB 4.23Å; F329-F343 HydrophobicContact CE2-CB 3.68Å; F329-F343 AromaticContact CE2-CD1 3.98Å; F329-F343 HydrophobicContact CE2-CD1 3.98Å; F329-F343 HydrophobicContact CE2-CG 4.2Å; F329-F343 HydrophobicContact CZ-CD1 4.38Å
330W98.8Very high97.5Very high84 Ų8445.2 Ų45.232%0.31823%0.227SC..EExtended strand (participates in β ladder)trans-140.5133.4-175-178.382.5000110.9G316 R317 I319 P332 S338 A339 L340 Y362G316-W330 CarbonylContact C-O 3.54Å; G316-W330 VanDerWaalsContact CA-O 3.24Å; G316-W330 WeakPolarHBondContact CA-O 3.34Å; R317-W330 PolarHBondContact N-O 2.76Å; R317-W330 PolarHBondContact O-N 2.89Å; I319-W330 HydrophobicContact CD1-CB 3.91Å; I319-W330 HydrophobicContact CG1-CB 4.23Å; I319-W330 HydrophobicContact CG2-CB 3.87Å; W330-P332 HydrophobicContact CH2-CB 3.51Å; W330-P332 HydrophobicContact CH2-CG 3.95Å; W330-P332 HydrophobicContact CZ2-CB 4.06Å; W330-P332 HydrophobicContact CZ3-CB 3.91Å; W330-P332 VanDerWaalsContact CZ3-CD 3.49Å; W330-P332 HydrophobicContact CZ3-CG 3.81Å; W330-S338 PolarHBondContact NE1-OG 3.29Å; W330-A339 VanDerWaalsContact CA-O 3.32Å; W330-A339 WeakPolarHBondContact CA-O 3.42Å; W330-L340 HydrophobicContact CB-CD1 4.29Å; W330-Y362 AromaticContact CD1-CZ 3.86Å; W330-Y362 VanDerWaalsContact CD1-OH 3.25Å; W330-Y362 AromaticContact NE1-CZ 3.52Å; W330-Y362 PolarHBondContact NE1-OH 3.38Å; W330-Y362 VanDerWaalsContact NE1-OH 3.16Å
331R98.8Very high97.6Very high0 Ų042.6 Ų42.60%021%0.214CC..EExtended strand (participates in β ladder)trans-125.7123.6174.1-177.3179.2176.8-172.7-11.8109.3A276 I277 I307 N308 I314 L333 S338 A339A276-R331 WeakPolarHBondContact O-CD 3.4Å; A276-R331 PolarHBondContact O-NH1 2.82Å; I277-R331 HydrophobicContact CD1-CB 3.68Å; I277-R331 WeakPolarHBondContact O-CD 3.47Å; I307-R331 VanDerWaalsContact O-CZ 3.28Å; I307-R331 PolarHBondContact O-NH1 3.28Å; N308-R331 VanDerWaalsContact CA-NH1 3.34Å; N308-R331 PolarHBondContact O-NH1 3Å; N308-R331 PolarHBondContact O-NH2 3.48Å; N308-R331 VanDerWaalsContact O-NH2 3.12Å; I314-R331 WeakPolarHBondContact O-CG 3.14Å; I314-R331 PolarHBondContact O-NE 2.8Å; R331-L333 HydrophobicContact CG-CD2 4.04Å; R331-S338 CarbonylContact O-C 3.55Å; R331-S338 WeakPolarHBondContact O-CA 3.16Å; R331-S338 VanDerWaalsContact O-CB 3.25Å; R331-S338 WeakPolarHBondContact O-CB 3.26Å; R331-A339 HydrophobicContact CB-CB 4.35Å; R331-A339 PolarHBondContact N-O 2.69Å; R331-A339 PolarHBondContact O-N 3.37Å
332P98.1Very high97.7Very high27 Ų2737.3 Ų37.318%0.17519%0.191CC..EExtended strand (participates in β ladder)trans-70.3142.4170.427.5-28.6000110.3I314 W330I314-P332 HydrophobicContact CB-CG 3.93Å; I314-P332 HydrophobicContact CD1-CG 4.09Å; I314-P332 HydrophobicContact CG2-CG 3.5Å; I314-P332 VanDerWaalsContact CG2-CG 3.5Å; W330-P332 HydrophobicContact CH2-CB 3.51Å; W330-P332 HydrophobicContact CH2-CG 3.95Å; W330-P332 HydrophobicContact CZ2-CB 4.06Å; W330-P332 HydrophobicContact CZ3-CB 3.91Å; W330-P332 VanDerWaalsContact CZ3-CD 3.49Å; W330-P332 HydrophobicContact CZ3-CG 3.81Å
333L98.4Very high97.7Very high8 Ų833.3 Ų33.34%0.04217%0.172CC..EExtended strand (participates in β ladder)trans-128.7170.1-180-53.9173.4000110.2I307 D310 L312 R331 A337 A339 Y399I307-L333 HydrophobicContact CG1-CD1 3.93Å; I307-L333 HydrophobicContact CG2-CD1 4.34Å; I307-L333 HydrophobicContact CG2-CD2 4.17Å; D310-L333 HydrophobicContact CB-CD2 3.65Å; L312-L333 VanDerWaalsContact CD1-C 3.47Å; R331-L333 HydrophobicContact CG-CD2 4.04Å; L333-A337 HydrophobicContact CB-CB 4.19Å; L333-A337 PolarHBondContact N-O 3.31Å; L333-A339 HydrophobicContact CD1-CB 4.16Å; L333-Y399 HydrophobicContact CD1-CD2 3.85Å; L333-Y399 HydrophobicContact CD1-CE2 3.74Å
334S96.7Very high97.8Very high19 Ų1922.9 Ų22.913%0.13313%0.127CC..G310 helixtrans-55.2160.5173.8-570000112.1D310 P311 N336 A337D310-S334 PolarHBondContact OD1-N 2.94Å; D310-S334 PolarHBondContact OD1-OG 3.36Å; D310-S334 WeakPolarHBondContact OD2-CB 3.39Å; D310-S334 PolarHBondContact OD2-N 2.72Å; D310-S334 PolarHBondContact OD2-OG 3.44Å; P311-S334 WeakPolarHBondContact CD-OG 3.07Å; P311-S334 WeakPolarHBondContact CG-OG 3.23Å; S334-N336 PolarHBondContact O-N 3.43Å; S334-A337 WeakPolarHBondContact O-CB 3.1Å; S334-A337 PolarHBondContact O-N 3.42Å
335N93.6Very high97.9Very high154 Ų15425 Ų2582%0.82413%0.131SC*.G310 helixtrans58.532.3174.8-54.2-49000114.5A337N335-A337 PolarHBondContact O-N 2.04Å
336N91.2Very high97.9Very high121 Ų12127 Ų2765%0.64713%0.132SC*.G310 helixtrans57.135.5-179.2-161.153.1000112.6S334S334-N336 PolarHBondContact O-N 3.43Å
337A97.1Very high97.8Very high6 Ų634.1 Ų34.15%0.0517%0.17CC..EExtended strand (participates in β ladder)trans-102.1171.4171.800000110.7L333 S334 N335 Y399 V400L333-A337 HydrophobicContact CB-CB 4.19Å; L333-A337 PolarHBondContact N-O 3.31Å; S334-A337 WeakPolarHBondContact O-CB 3.1Å; S334-A337 PolarHBondContact O-N 3.42Å; N335-A337 PolarHBondContact O-N 2.04Å; A337-Y399 HydrophobicContact CB-CE1 4.42Å; A337-Y399 HydrophobicContact CB-CE2 3.85Å; A337-Y399 VanDerWaalsContact CB-OH 3.3Å; A337-Y399 WeakPolarHBondContact CB-OH 3.29Å; A337-V400 CarbonylContact C-O 3.44Å; A337-V400 WeakPolarHBondContact CA-O 3.43Å; A337-V400 WeakPolarHBondContact CB-O 3.31Å
338S98.5Very high97.7Very high5 Ų537.5 Ų37.54%0.03519%0.189CC..EExtended strand (participates in β ladder)trans-154.3153.6173.6500000111.4W330 R331 Y362 V400W330-S338 PolarHBondContact NE1-OG 3.29Å; R331-S338 CarbonylContact O-C 3.55Å; R331-S338 WeakPolarHBondContact O-CA 3.16Å; R331-S338 VanDerWaalsContact O-CB 3.25Å; R331-S338 WeakPolarHBondContact O-CB 3.26Å; S338-Y362 WeakPolarHBondContact OG-CE1 3.35Å; S338-Y362 PolarHBondContact OG-OH 2.97Å; S338-V400 PolarHBondContact N-O 3.45Å; S338-V400 PolarHBondContact O-N 3.27Å
339A98.8Very high97.7Very high0 Ų043.4 Ų43.40%022%0.218CC..EExtended strand (participates in β ladder)trans-95.4140.5164.700000110I277 I307 W330 R331 L333 M397 W398I277-A339 HydrophobicContact CD1-CB 3.79Å; I307-A339 HydrophobicContact CD1-CB 4.11Å; I307-A339 HydrophobicContact CG1-CB 4.4Å; I307-A339 HydrophobicContact CG2-CB 3.59Å; W330-A339 VanDerWaalsContact CA-O 3.32Å; W330-A339 WeakPolarHBondContact CA-O 3.42Å; R331-A339 HydrophobicContact CB-CB 4.35Å; R331-A339 PolarHBondContact N-O 2.69Å; R331-A339 PolarHBondContact O-N 3.37Å; L333-A339 HydrophobicContact CD1-CB 4.16Å; A339-M397 HydrophobicContact CB-CE 4.14Å; A339-W398 CarbonylContact C-O 3.35Å; A339-W398 WeakPolarHBondContact CA-O 3.1Å
340L98.7Very high97.7Very high0 Ų046.6 Ų46.60%024%0.238CC..EExtended strand (participates in β ladder)trans-129126.8177.9-170.672.8000108.8I319 V328 F329 W330 F342 L357 L360 Y362 M397 W398 V400I319-L340 HydrophobicContact CD1-CD1 4.36Å; V328-L340 HydrophobicContact CG1-CD1 3.6Å; V328-L340 HydrophobicContact CG1-CG 4.22Å; F329-L340 CarbonylContact O-C 3.57Å; F329-L340 WeakPolarHBondContact O-CA 3.19Å; W330-L340 HydrophobicContact CB-CD1 4.29Å; L340-F342 HydrophobicContact CD2-CE1 4.12Å; L340-F342 HydrophobicContact CD2-CE2 3.71Å; L340-F342 HydrophobicContact CD2-CZ 3.33Å; L340-F342 HydrophobicContact CG-CE2 4.12Å; L340-F342 HydrophobicContact CG-CZ 4.01Å; L340-L357 HydrophobicContact CD2-CD2 4.27Å; L340-L360 HydrophobicContact CD1-CD1 4.14Å; L340-L360 HydrophobicContact CD2-CD1 3.65Å; L340-L360 HydrophobicContact CG-CD1 4.47Å; L340-Y362 HydrophobicContact CD1-CE2 4.48Å; L340-M397 CarbonylContact O-C 3.46Å; L340-M397 WeakPolarHBondContact O-CA 3.15Å; L340-W398 HydrophobicContact CB-CB 4.43Å; L340-W398 HydrophobicContact CD2-CE3 4.21Å; L340-W398 PolarHBondContact N-O 2.72Å; L340-W398 PolarHBondContact O-N 2.92Å; L340-V400 HydrophobicContact CB-CG2 4.21Å
341V98.9Very high97.7Very high0 Ų046.1 Ų46.10%024%0.237CC..EExtended strand (participates in β ladder)trans-119.9123.4178.2175.70000109.1A273 L274 I277 V328 F329 F343 V395 V396 M397A273-V341 HydrophobicContact CB-CG1 4.29Å; A273-V341 HydrophobicContact CB-CG2 4.08Å; L274-V341 HydrophobicContact CD2-CG1 4.46Å; I277-V341 HydrophobicContact CD1-CG2 3.9Å; I277-V341 HydrophobicContact CG1-CB 4.29Å; I277-V341 HydrophobicContact CG1-CG2 3.53Å; V328-V341 CarbonylContact C-O 3.47Å; V328-V341 WeakPolarHBondContact CA-O 3.35Å; F329-V341 HydrophobicContact CB-CB 4.25Å; F329-V341 HydrophobicContact CD2-CB 4.36Å; F329-V341 HydrophobicContact CD2-CG1 4.33Å; F329-V341 PolarHBondContact N-O 3.27Å; F329-V341 PolarHBondContact O-N 2.58Å; V341-F343 HydrophobicContact CG1-CB 4.42Å; V341-V395 HydrophobicContact CG1-CB 3.94Å; V341-V395 HydrophobicContact CG1-CG1 3.53Å; V341-V396 WeakPolarHBondContact CA-O 3.24Å; V341-M397 HydrophobicContact CG2-CB 4.04Å; V341-M397 HydrophobicContact CG2-CE 4.4Å; V341-M397 HydrophobicContact CG2-CG 3.66Å; V341-M397 HydrophobicContact CG2-SD 3.88Å
342F98.9Very high97.6Very high0 Ų054.5 Ų54.50%027%0.269CS..EExtended strand (participates in β ladder)trans-97.6113167.6-52.6-87.5000108V328 L340 Y353 T355 L360 F386 V388 V390 V395 V396 W398V328-F342 HydrophobicContact CG1-CD1 4.25Å; V328-F342 HydrophobicContact CG1-CE1 4.27Å; V328-F342 HydrophobicContact CG2-CD1 3.94Å; V328-F342 HydrophobicContact CG2-CE1 4.36Å; L340-F342 HydrophobicContact CD2-CE1 4.12Å; L340-F342 HydrophobicContact CD2-CE2 3.71Å; L340-F342 HydrophobicContact CD2-CZ 3.33Å; L340-F342 HydrophobicContact CG-CE2 4.12Å; L340-F342 HydrophobicContact CG-CZ 4.01Å; F342-Y353 AromaticContact CD1-CD1 3.78Å; F342-Y353 HydrophobicContact CD1-CD1 3.78Å; F342-Y353 AromaticContact CD1-CE1 3.88Å; F342-Y353 HydrophobicContact CD1-CE1 3.88Å; F342-Y353 HydrophobicContact CE1-CD1 4.11Å; F342-Y353 AromaticContact CE1-CE1 3.99Å; F342-Y353 HydrophobicContact CE1-CE1 3.99Å; F342-T355 HydrophobicContact CE1-CG2 4.09Å; F342-L360 HydrophobicContact CE1-CD1 4.02Å; F342-L360 HydrophobicContact CZ-CD1 4.2Å; F342-F386 HydrophobicContact CE1-CE2 4.3Å; F342-F386 AromaticContact CZ-CE2 3.76Å; F342-F386 HydrophobicContact CZ-CE2 3.76Å; F342-F386 HydrophobicContact CZ-CZ 4Å; F342-V388 HydrophobicContact CB-CG2 4.14Å; F342-V388 HydrophobicContact CD1-CG2 3.92Å; F342-V388 HydrophobicContact CD2-CB 4.43Å; F342-V388 HydrophobicContact CD2-CG1 4.07Å; F342-V388 HydrophobicContact CD2-CG2 4.05Å; F342-V388 HydrophobicContact CE1-CG2 4.3Å; F342-V388 HydrophobicContact CE2-CG1 3.93Å; F342-V388 HydrophobicContact CE2-CG2 4.42Å; F342-V388 HydrophobicContact CG-CG2 3.78Å; F342-V388 HydrophobicContact CZ-CG1 4.37Å; F342-V390 HydrophobicContact CB-CG2 3.95Å; F342-V395 CarbonylContact O-C 3.48Å; F342-V395 VanDerWaalsContact O-CA 3.23Å; F342-V395 WeakPolarHBondContact O-CA 3.45Å; F342-V396 HydrophobicContact CB-CB 4.41Å; F342-V396 HydrophobicContact CD2-CB 4.24Å; F342-V396 HydrophobicContact CD2-CG1 4.22Å; F342-V396 PolarHBondContact N-O 3.03Å; F342-V396 PolarHBondContact O-N 3.29Å; F342-W398 AromaticContact CE2-CD2 3.9Å; F342-W398 HydrophobicContact CE2-CD2 3.9Å; F342-W398 AromaticContact CE2-CE3 3.84Å; F342-W398 HydrophobicContact CE2-CE3 3.84Å; F342-W398 HydrophobicContact CE2-CG 4.47Å; F342-W398 HydrophobicContact CE2-CH2 4.44Å; F342-W398 HydrophobicContact CE2-CZ2 4.48Å; F342-W398 HydrophobicContact CE2-CZ3 4.12Å; F342-W398 HydrophobicContact CZ-CE3 4.24Å; F342-W398 HydrophobicContact CZ-CZ3 4.19Å
343F98.9Very high97.7Very high0 Ų053.8 Ų53.80%026%0.262CS..EExtended strand (participates in β ladder)trans-113.9137.2-174.8171.7-123.9000110.7W224 L228 I326 E327 F329 V341 R345 G394 V395W224-F343 AromaticContact CH2-CE2 3.83Å; W224-F343 HydrophobicContact CH2-CE2 3.83Å; W224-F343 AromaticContact CH2-CZ 3.95Å; W224-F343 HydrophobicContact CH2-CZ 3.95Å; W224-F343 AromaticContact CZ2-CE2 3.85Å; W224-F343 HydrophobicContact CZ2-CE2 3.85Å; W224-F343 AromaticContact CZ2-CZ 3.73Å; W224-F343 HydrophobicContact CZ2-CZ 3.73Å; L228-F343 HydrophobicContact CD2-CE1 4.09Å; L228-F343 HydrophobicContact CD2-CZ 3.73Å; I326-F343 WeakPolarHBondContact CA-O 3.39Å; E327-F343 HydrophobicContact CB-CD1 4.28Å; E327-F343 PolarHBondContact N-O 2.95Å; E327-F343 PolarHBondContact O-N 3.5Å; F329-F343 HydrophobicContact CD2-CB 4.23Å; F329-F343 HydrophobicContact CE2-CB 3.68Å; F329-F343 AromaticContact CE2-CD1 3.98Å; F329-F343 HydrophobicContact CE2-CD1 3.98Å; F329-F343 HydrophobicContact CE2-CG 4.2Å; F329-F343 HydrophobicContact CZ-CD1 4.38Å; V341-F343 HydrophobicContact CG1-CB 4.42Å; F343-R345 HydrophobicContact CE1-CG 4.03Å; F343-G394 WeakPolarHBondContact CD2-O 3.45Å; F343-V395 HydrophobicContact CB-CG1 3.99Å; F343-V395 HydrophobicContact CD2-CG1 3.73Å; F343-V395 HydrophobicContact CG-CG1 4.28Å
344S98.8Very high97.6Very high0 Ų059.4 Ų59.40%029%0.289CS..EExtended strand (participates in β ladder)trans-103.4115.5178-173.90000111.9R346 N391 T393 G394S344-R346 PolarHBondContact O-N 3.07Å; S344-R346 VanDerWaalsContact OG-CB 3.31Å; S344-R346 WeakPolarHBondContact OG-CB 3.49Å; S344-R346 WeakPolarHBondContact OG-CG 3.34Å; S344-R346 PolarHBondContact OG-N 3.35Å; S344-N391 WeakPolarHBondContact CB-O 3.38Å; S344-T393 VanDerWaalsContact O-CA 3.28Å; S344-T393 WeakPolarHBondContact O-CA 3.44Å; S344-T393 PolarHBondContact O-N 3.2Å; S344-G394 PolarHBondContact N-O 3.37Å
345R98.4Very high97.7Very high69 Ų6958.7 Ų58.726%0.2628%0.283SS..  trans-73.2-7.2165.1-65.8-79.4-178.2178.9-15112.9D232 G325 E327 F343D232-R345 VanDerWaalsContact CG-NH1 3.28Å; D232-R345 IonicContact OD1-CZ 3.47Å; D232-R345 IonicContact OD1-NH1 2.91Å; D232-R345 PolarHBondContact OD1-NH1 3.4Å; D232-R345 VanDerWaalsContact OD1-NH1 3.13Å; D232-R345 IonicContact OD1-NH2 3.97Å; D232-R345 PolarHBondContact OD1-NH2 3.03Å; D232-R345 IonicContact OD2-CZ 3.72Å; D232-R345 IonicContact OD2-NH1 3.76Å; D232-R345 PolarHBondContact OD2-NH1 3.31Å; D232-R345 IonicContact OD2-NH2 3.02Å; G325-R345 VanDerWaalsContact O-CB 3.26Å; G325-R345 WeakPolarHBondContact O-CB 3.36Å; G325-R345 PolarHBondContact O-N 2.74Å; E327-R345 VanDerWaalsContact CD-NE 3.32Å; E327-R345 HydrophobicContact CG-CG 4.16Å; E327-R345 IonicContact OE1-CZ 3.98Å; E327-R345 IonicContact OE1-NE 3.11Å; E327-R345 PolarHBondContact OE1-NE 2.71Å; E327-R345 IonicContact OE1-NH2 2.59Å; E327-R345 PolarHBondContact OE1-NH2 3.36Å; E327-R345 IonicContact OE2-CZ 3.57Å; E327-R345 IonicContact OE2-NE 2.7Å; E327-R345 IonicContact OE2-NH2 2.59Å; E327-R345 PolarHBondContact OE2-NH2 2.96Å; F343-R345 HydrophobicContact CE1-CG 4.03Å
346R98.3Very high97.9Very high62 Ų6251.4 Ų51.423%0.23424%0.244CC..  trans-72.4153.6-175.1-50.7176.563.487.3-2.5110.5S324 S344 D348 P392 T393S324-R346 WeakPolarHBondContact O-CD 3.17Å; S324-R346 WeakPolarHBondContact O-CG 3.42Å; S324-R346 PolarHBondContact O-NH1 2.89Å; S344-R346 PolarHBondContact O-N 3.07Å; S344-R346 VanDerWaalsContact OG-CB 3.31Å; S344-R346 WeakPolarHBondContact OG-CB 3.49Å; S344-R346 WeakPolarHBondContact OG-CG 3.34Å; S344-R346 PolarHBondContact OG-N 3.35Å; R346-D348 WeakPolarHBondContact CB-OD1 3.43Å; R346-D348 IonicContact CZ-OD1 3.65Å; R346-D348 IonicContact CZ-OD2 3.16Å; R346-D348 IonicContact NE-OD1 3.54Å; R346-D348 PolarHBondContact NE-OD1 3.38Å; R346-D348 IonicContact NE-OD2 2.96Å; R346-D348 IonicContact NH2-OD1 3.25Å; R346-D348 PolarHBondContact NH2-OD1 2.98Å; R346-D348 IonicContact NH2-OD2 3.48Å; R346-D348 PolarHBondContact NH2-OD2 3.49Å; R346-P392 CarbonylContact O-C 3.6Å; R346-P392 VanDerWaalsContact O-CA 3.27Å; R346-P392 WeakPolarHBondContact O-CA 3.32Å; R346-P392 VanDerWaalsContact O-CB 3.31Å; R346-P392 WeakPolarHBondContact O-CB 3.02Å; R346-T393 PolarHBondContact O-N 3.08Å; R346-T393 VanDerWaalsContact O-N 3.1Å
347N96.6Very high98.2Very high150 Ų15045.6 Ų45.680%0.80221%0.214SC*.SBendtrans-125.419.1178.965-12.1000112.5
348D97.1Very high98.2Very high82 Ų8247.6 Ų47.644%0.43923%0.227SC..SBendtrans-106-82.4-176.764.6-23.6000112.8R346R346-D348 WeakPolarHBondContact CB-OD1 3.43Å; R346-D348 IonicContact CZ-OD1 3.65Å; R346-D348 IonicContact CZ-OD2 3.16Å; R346-D348 IonicContact NE-OD1 3.54Å; R346-D348 PolarHBondContact NE-OD1 3.38Å; R346-D348 IonicContact NE-OD2 2.96Å; R346-D348 IonicContact NH2-OD1 3.25Å; R346-D348 PolarHBondContact NH2-OD1 2.98Å; R346-D348 IonicContact NH2-OD2 3.48Å; R346-D348 PolarHBondContact NH2-OD2 3.49Å
349M97.8Very high98.1Very high124 Ų12452.7 Ų52.761%0.61125%0.249SC*.SBendtrans-146.9169.2-174.470.4176.517700111.3Y351M349-Y351 PolarHBondContact O-N 3.29Å
350P98.5Very high98Very high67 Ų6753 Ų5344%0.43525%0.25SS..  trans-54.6130.5177.8-25.835.3000112V390 N391P350-V390 WeakPolarHBondContact CA-O 3.43Å; P350-N391 WeakPolarHBondContact CG-OD1 3Å
351Y98.6Very high97.8Very high75 Ų7560.1 Ų60.129%0.29429%0.288SS..EExtended strand (participates in β ladder)trans-107.5128.3-177.4-172.9-94.9000110.9S324 I326 M349 Y353 S389 V390S324-Y351 WeakPolarHBondContact CB-OH 3.47Å; I326-Y351 HydrophobicContact CD1-CD1 3.85Å; I326-Y351 HydrophobicContact CD1-CG 4.41Å; I326-Y351 HydrophobicContact CG1-CD1 3.64Å; I326-Y351 HydrophobicContact CG1-CE1 3.93Å; M349-Y351 PolarHBondContact O-N 3.29Å; Y351-Y353 HydrophobicContact CE1-CD2 4.3Å; Y351-Y353 PolarHBondContact O-N 3.45Å; Y351-S389 WeakPolarHBondContact O-CA 3.34Å; Y351-V390 PolarHBondContact N-O 3.45Å; Y351-V390 PolarHBondContact O-N 3.01Å
352R98.4Very high97.6Very high175 Ų17561.3 Ų61.366%0.6629%0.293SS*.EExtended strand (participates in β ladder)trans-86.393.7176.6-66.9-177.869.395.82.4109.5V387R352-V387 HydrophobicContact CB-CG1 3.73Å; R352-V387 HydrophobicContact CG-CG1 4.27Å
353Y98.4Very high97.4Very high12 Ų1266.2 Ų66.25%0.04732%0.323CS..EExtended strand (participates in β ladder)trans-84.9117.1176.8-178-118.6000110.3E322 I326 V328 F342 Y351 T355 V387 V388E322-Y353 HydrophobicContact CG-CE2 3.92Å; E322-Y353 PolarHBondContact OE1-OH 3.03Å; I326-Y353 HydrophobicContact CB-CD2 4.21Å; I326-Y353 HydrophobicContact CB-CE2 4.48Å; I326-Y353 HydrophobicContact CB-CG 4.48Å; I326-Y353 HydrophobicContact CG1-CD2 4.15Å; I326-Y353 HydrophobicContact CG1-CG 4.32Å; I326-Y353 HydrophobicContact CG2-CD1 4.07Å; I326-Y353 HydrophobicContact CG2-CD2 4.12Å; I326-Y353 HydrophobicContact CG2-CE1 4.27Å; I326-Y353 HydrophobicContact CG2-CE2 4.33Å; I326-Y353 HydrophobicContact CG2-CG 3.99Å; V328-Y353 HydrophobicContact CG2-CE1 4.06Å; F342-Y353 AromaticContact CD1-CD1 3.78Å; F342-Y353 HydrophobicContact CD1-CD1 3.78Å; F342-Y353 AromaticContact CD1-CE1 3.88Å; F342-Y353 HydrophobicContact CD1-CE1 3.88Å; F342-Y353 HydrophobicContact CE1-CD1 4.11Å; F342-Y353 AromaticContact CE1-CE1 3.99Å; F342-Y353 HydrophobicContact CE1-CE1 3.99Å; Y351-Y353 HydrophobicContact CE1-CD2 4.3Å; Y351-Y353 PolarHBondContact O-N 3.45Å; Y353-T355 HydrophobicContact CD1-CG2 4.05Å; Y353-T355 HydrophobicContact CE1-CG2 3.62Å; Y353-V387 WeakPolarHBondContact O-CA 3.4Å; Y353-V388 HydrophobicContact CD1-CG2 3.89Å; Y353-V388 HydrophobicContact CG-CG2 4.38Å; Y353-V388 PolarHBondContact N-O 2.03Å; Y353-V388 PolarHBondContact O-N 2.89Å
354Q98.3Very high97.1Very high126 Ų12671.9 Ų71.959%0.58936%0.358SS*.EExtended strand (participates in β ladder)trans-99.8125.8178.7-177.3175.2-7.800110.5F386 V387Q354-F386 WeakPolarHBondContact CA-O 3.09Å; Q354-V387 HydrophobicContact CB-CG2 4.18Å; Q354-V387 HydrophobicContact CG-CG2 4.2Å
355T98.1Very high96.8Very high4 Ų472.9 Ų72.93%0.02537%0.368CS..EExtended strand (participates in β ladder)trans-157.7-173.7179-164.40000111.4F342 Y353 L360 E385 F386F342-T355 HydrophobicContact CE1-CG2 4.09Å; Y353-T355 HydrophobicContact CD1-CG2 4.05Å; Y353-T355 HydrophobicContact CE1-CG2 3.62Å; T355-L360 HydrophobicContact CG2-CD1 4.29Å; T355-E385 WeakPolarHBondContact O-CA 3.34Å; T355-F386 HydrophobicContact CG2-CD2 4.22Å; T355-F386 HydrophobicContact CG2-CE1 4.27Å; T355-F386 HydrophobicContact CG2-CE2 3.38Å; T355-F386 HydrophobicContact CG2-CZ 3.42Å; T355-F386 VanDerWaalsContact CG2-CZ 3.42Å; T355-F386 PolarHBondContact N-O 3.12Å; T355-F386 PolarHBondContact O-N 3.08Å
356S97.9Very high96.6Very high1 Ų171.8 Ų71.81%0.00737%0.371CS..EExtended strand (participates in β ladder)trans-139.4160.117269.50000109.6S358 K359 L360 T384S356-S358 PolarHBondContact O-N 2.72Å; S356-S358 PolarHBondContact OG-OG 2.88Å; S356-K359 PolarHBondContact O-N 2.87Å; S356-K359 WeakPolarHBondContact OG-CG 3.39Å; S356-K359 PolarHBondContact OG-N 2.97Å; S356-L360 WeakPolarHBondContact O-CG 3.11Å; S356-L360 PolarHBondContact O-N 3.26Å; S356-T384 WeakPolarHBondContact CB-O 3.11Å
357L97.5Very high96.5Very high0 Ų069.4 Ų69.40%036%0.362CS..THydrogen-bonded Turntrans-65.8-30.8177-63.5175.7000111.3L340 K359 L360 N361 Y362 Y367 L380 D382 F386L340-L357 HydrophobicContact CD2-CD2 4.27Å; L357-K359 PolarHBondContact O-N 3.17Å; L357-L360 CarbonylContact O-C 3.45Å; L357-L360 WeakPolarHBondContact O-CA 3.34Å; L357-L360 WeakPolarHBondContact O-CB 3.34Å; L357-L360 PolarHBondContact O-N 3.02Å; L357-N361 PolarHBondContact O-N 3.13Å; L357-Y362 HydrophobicContact CB-CD2 4.03Å; L357-Y362 HydrophobicContact CB-CG 3.97Å; L357-Y362 HydrophobicContact CD2-CD2 4.15Å; L357-Y362 HydrophobicContact CD2-CE2 4.08Å; L357-Y362 WeakPolarHBondContact O-CB 3.34Å; L357-Y362 WeakPolarHBondContact O-CD2 3.47Å; L357-Y362 PolarHBondContact O-N 2.8Å; L357-Y367 HydrophobicContact CD1-CD2 3.6Å; L357-Y367 HydrophobicContact CD1-CE2 4.44Å; L357-Y367 HydrophobicContact CD1-CG 3.81Å; L357-L380 HydrophobicContact CD1-CB 4.41Å; L357-D382 PolarHBondContact N-O 3.04Å; L357-F386 HydrophobicContact CD2-CE1 4.17Å; L357-F386 HydrophobicContact CD2-CZ 4.34Å; L357-F386 HydrophobicContact CG-CE1 4.06Å
358S96.3Very high96.5Very high47 Ų4766.9 Ų66.933%0.32934%0.344SS..G310 helixtrans-63.3-37.6174.961.30000112.8S356 L360 N361 D382S356-S358 PolarHBondContact O-N 2.72Å; S356-S358 PolarHBondContact OG-OG 2.88Å; S358-L360 PolarHBondContact O-N 2.84Å; S358-N361 PolarHBondContact O-N 2.91Å; S358-N361 VanDerWaalsContact O-N 3.13Å; S358-D382 WeakPolarHBondContact CB-O 3.1Å; S358-D382 PolarHBondContact N-O 2.76Å; S358-D382 PolarHBondContact OG-O 3.26Å
359K96.9Very high96.6Very high113 Ų11363.3 Ų63.349%0.49133%0.325SS..G310 helixtrans-66.5-20.5172.1-72.9168.7179.31650112.6S356 L357 N361 E385S356-K359 PolarHBondContact O-N 2.87Å; S356-K359 WeakPolarHBondContact OG-CG 3.39Å; S356-K359 PolarHBondContact OG-N 2.97Å; L357-K359 PolarHBondContact O-N 3.17Å; K359-N361 VanDerWaalsContact C-N 3.33Å; K359-E385 WeakPolarHBondContact CE-OE1 3.47Å; K359-E385 IonicContact NZ-OE1 3.49Å; K359-E385 PolarHBondContact NZ-OE1 3.34Å; K359-E385 IonicContact NZ-OE2 3.7Å; K359-E385 PolarHBondContact NZ-OE2 2.85Å
360L96.4Very high96.6Very high7 Ų758 Ų584%0.03730%0.299CS..G310 helixtrans-96.618.5175.6-54.4179.2000112.4I319 L320 V328 L340 F342 T355 S356 L357 S358 Y362I319-L360 HydrophobicContact CD1-CB 4.39Å; L320-L360 HydrophobicContact CD1-CD2 3.28Å; V328-L360 HydrophobicContact CG1-CD1 4.41Å; V328-L360 HydrophobicContact CG1-CD2 4.22Å; V328-L360 HydrophobicContact CG2-CD2 4.45Å; L340-L360 HydrophobicContact CD1-CD1 4.14Å; L340-L360 HydrophobicContact CD2-CD1 3.65Å; L340-L360 HydrophobicContact CG-CD1 4.47Å; F342-L360 HydrophobicContact CE1-CD1 4.02Å; F342-L360 HydrophobicContact CZ-CD1 4.2Å; T355-L360 HydrophobicContact CG2-CD1 4.29Å; S356-L360 WeakPolarHBondContact O-CG 3.11Å; S356-L360 PolarHBondContact O-N 3.26Å; L357-L360 CarbonylContact O-C 3.45Å; L357-L360 WeakPolarHBondContact O-CA 3.34Å; L357-L360 WeakPolarHBondContact O-CB 3.34Å; L357-L360 PolarHBondContact O-N 3.02Å; S358-L360 PolarHBondContact O-N 2.84Å; L360-Y362 VanDerWaalsContact C-N 3.28Å; L360-Y362 HydrophobicContact CB-CD2 4.06Å; L360-Y362 HydrophobicContact CB-CE2 4.23Å; L360-Y362 PolarHBondContact O-N 3.06Å
361N94.9Very high96.6Very high148 Ų14855.8 Ų55.879%0.79128%0.284SS*.THydrogen-bonded Turntrans63.921.4178.1-58.9-38.3000115.6L357 S358 K359L357-N361 PolarHBondContact O-N 3.13Å; S358-N361 PolarHBondContact O-N 2.91Å; S358-N361 VanDerWaalsContact O-N 3.13Å; K359-N361 VanDerWaalsContact C-N 3.33Å
362Y95Very high96.6Very high26 Ų2652.2 Ų52.210%0.10227%0.27CS..PPolyproline II helixtrans-70.6143.3165.8-74.2-108.3000110.1W330 S338 L340 L357 L360 Y367 V400W330-Y362 AromaticContact CD1-CZ 3.86Å; W330-Y362 VanDerWaalsContact CD1-OH 3.25Å; W330-Y362 AromaticContact NE1-CZ 3.52Å; W330-Y362 PolarHBondContact NE1-OH 3.38Å; W330-Y362 VanDerWaalsContact NE1-OH 3.16Å; S338-Y362 WeakPolarHBondContact OG-CE1 3.35Å; S338-Y362 PolarHBondContact OG-OH 2.97Å; L340-Y362 HydrophobicContact CD1-CE2 4.48Å; L357-Y362 HydrophobicContact CB-CD2 4.03Å; L357-Y362 HydrophobicContact CB-CG 3.97Å; L357-Y362 HydrophobicContact CD2-CD2 4.15Å; L357-Y362 HydrophobicContact CD2-CE2 4.08Å; L357-Y362 WeakPolarHBondContact O-CB 3.34Å; L357-Y362 WeakPolarHBondContact O-CD2 3.47Å; L357-Y362 PolarHBondContact O-N 2.8Å; L360-Y362 VanDerWaalsContact C-N 3.28Å; L360-Y362 HydrophobicContact CB-CD2 4.06Å; L360-Y362 HydrophobicContact CB-CE2 4.23Å; L360-Y362 PolarHBondContact O-N 3.06Å; Y362-Y367 HydrophobicContact CD1-CD1 4.17Å; Y362-Y367 AromaticContact CD1-CE1 3.77Å; Y362-Y367 HydrophobicContact CD1-CE1 3.77Å; Y362-Y367 HydrophobicContact CD1-CE2 4.48Å; Y362-Y367 AromaticContact CD1-CZ 3.94Å; Y362-Y367 HydrophobicContact CE1-CE1 4.47Å; Y362-V400 HydrophobicContact CD1-CG1 4.5Å; Y362-V400 HydrophobicContact CE1-CB 4.28Å; Y362-V400 HydrophobicContact CE1-CG1 3.72Å
363T93.4Very high96.6Very high102 Ų10246 Ų4663%0.62625%0.247SC*.PPolyproline II helixtrans-70160.3177.250.60000112G365 Y367T363-G365 PolarHBondContact O-N 3.3Å; T363-Y367 PolarHBondContact N-OH 2.88Å; T363-Y367 WeakPolarHBondContact O-CE2 3.49Å; T363-Y367 PolarHBondContact O-OH 2.93Å; T363-Y367 PolarHBondContact OG1-OH 2.67Å; T363-Y367 VanDerWaalsContact OG1-OH 3.09Å
364T94.1Very high96.5Very high119 Ų11949 Ų4973%0.7327%0.267SS*.SBendtrans-55.2127.8176.3-56.90000112D382T364-D382 VanDerWaalsContact CA-CG 3.47Å; T364-D382 WeakPolarHBondContact CA-OD1 3.44Å
365G92Very high96.4Very high21 Ų2148.3 Ų48.322%0.21627%0.267CS..SBendtrans165.6178.2-176.500000113.5T363 K381 D382T363-G365 PolarHBondContact O-N 3.3Å; G365-K381 CarbonylContact O-C 3.51Å; G365-K381 VanDerWaalsContact O-CA 3.31Å; G365-K381 WeakPolarHBondContact O-CA 3.09Å; G365-D382 PolarHBondContact N-OD1 2.79Å; G365-D382 PolarHBondContact O-N 3.17Å; G365-D382 VanDerWaalsContact O-OD1 3.12Å
366S94.7Very high96.3Very high47 Ų4755 Ų5533%0.32930%0.298SS..EExtended strand (participates in β ladder)trans-98.6152.9164.4-62.50000108.7L380 P403S366-L380 CarbonylContact C-O 3.59Å; S366-L380 WeakPolarHBondContact CA-O 3.01Å; S366-P403 WeakPolarHBondContact O-CD 3.43Å; S366-P403 WeakPolarHBondContact O-CG 3.47Å
367Y96.3Very high96.2Very high11 Ų1158.5 Ų58.54%0.04332%0.32CS..EExtended strand (participates in β ladder)trans-140.3135.3180-62.9-91.2000109L357 Y362 T363 V379 L380 D382 V400 S401 A402L357-Y367 HydrophobicContact CD1-CD2 3.6Å; L357-Y367 HydrophobicContact CD1-CE2 4.44Å; L357-Y367 HydrophobicContact CD1-CG 3.81Å; Y362-Y367 HydrophobicContact CD1-CD1 4.17Å; Y362-Y367 AromaticContact CD1-CE1 3.77Å; Y362-Y367 HydrophobicContact CD1-CE1 3.77Å; Y362-Y367 HydrophobicContact CD1-CE2 4.48Å; Y362-Y367 AromaticContact CD1-CZ 3.94Å; Y362-Y367 HydrophobicContact CE1-CE1 4.47Å; T363-Y367 PolarHBondContact N-OH 2.88Å; T363-Y367 WeakPolarHBondContact O-CE2 3.49Å; T363-Y367 PolarHBondContact O-OH 2.93Å; T363-Y367 PolarHBondContact OG1-OH 2.67Å; T363-Y367 VanDerWaalsContact OG1-OH 3.09Å; Y367-V379 CarbonylContact O-C 3.58Å; Y367-V379 VanDerWaalsContact O-CA 3.32Å; Y367-V379 WeakPolarHBondContact O-CA 3.14Å; Y367-L380 PolarHBondContact N-O 3.12Å; Y367-L380 PolarHBondContact O-N 3.43Å; Y367-D382 HydrophobicContact CE2-CB 4.15Å; Y367-V400 HydrophobicContact CD1-CG1 3.97Å; Y367-V400 HydrophobicContact CG-CG1 4.17Å; Y367-S401 CarbonylContact C-O 3.48Å; Y367-S401 WeakPolarHBondContact CA-O 3.47Å; Y367-A402 HydrophobicContact CD1-CB 4.25Å; Y367-A402 HydrophobicContact CE1-CB 4.17Å
368K96.9Very high96.1Very high98 Ų9863.2 Ų63.243%0.42635%0.345SS..EExtended strand (participates in β ladder)trans-82.1121.8166.1-177.7-175-178.8-172.50107.7T377 D378 V400 S401K368-T377 HydrophobicContact CD-CG2 4.24Å; K368-T377 HydrophobicContact CG-CG2 3.88Å; K368-D378 WeakPolarHBondContact CA-O 3.05Å; K368-V400 WeakPolarHBondContact O-CA 3.44Å; K368-S401 PolarHBondContact N-O 3.36Å; K368-S401 PolarHBondContact O-N 3.29Å; K368-S401 PolarHBondContact O-OG 2.88Å
369V97.5Very high96.1Very high6 Ų665.4 Ų65.44%0.03636%0.356CS..EExtended strand (participates in β ladder)trans-108.6133.8174.8-60.50000108.6T377 D378 L380 W398 Y399 V400V369-T377 CarbonylContact O-C 3.55Å; V369-T377 VanDerWaalsContact O-CA 3.24Å; V369-T377 WeakPolarHBondContact O-CA 3.31Å; V369-D378 HydrophobicContact CG2-CB 3.79Å; V369-D378 PolarHBondContact N-O 2.68Å; V369-D378 PolarHBondContact O-N 3.17Å; V369-L380 HydrophobicContact CG1-CD1 4.1Å; V369-L380 HydrophobicContact CG2-CD1 3.86Å; V369-L380 HydrophobicContact CG2-CG 4.02Å; V369-W398 HydrophobicContact CB-CD2 4.41Å; V369-W398 HydrophobicContact CB-CE3 4.2Å; V369-W398 HydrophobicContact CG1-CE3 4.06Å; V369-W398 HydrophobicContact CG1-CZ3 4.32Å; V369-Y399 CarbonylContact C-O 3.57Å; V369-Y399 WeakPolarHBondContact CA-O 3.36Å; V369-V400 HydrophobicContact CG1-CG1 4.14Å; V369-V400 HydrophobicContact CG1-CG2 4.13Å
370T98.3Very high96.1Very high12 Ų1260.6 Ų60.67%0.07434%0.335CS..EExtended strand (participates in β ladder)trans-128.3123.8173.1-610000108.7M303 V372 Q376 T377 W398 Y399M303-T370 HydrophobicContact CE-CG2 3.68Å; M303-T370 HydrophobicContact SD-CG2 3.99Å; T370-V372 PolarHBondContact O-N 3.42Å; T370-Q376 CarbonylContact C-O 3.6Å; T370-Q376 WeakPolarHBondContact CA-O 3.49Å; T370-T377 WeakPolarHBondContact CG2-OG1 3.4Å; T370-T377 PolarHBondContact OG1-OG1 2.85Å; T370-W398 CarbonylContact O-C 3.56Å; T370-W398 WeakPolarHBondContact O-CA 3.38Å; T370-Y399 PolarHBondContact N-O 2.75Å; T370-Y399 PolarHBondContact O-N 2.8Å
371D98.6Very high96Very high22 Ų2266.2 Ų66.212%0.11836%0.36CS..EExtended strand (participates in β ladder)trans-71.6123.2174-176.3-69.9000110Y373 T374 D375 Q376 M397D371-Y373 VanDerWaalsContact C-N 3.31Å; D371-Y373 PolarHBondContact O-N 2.02Å; D371-Y373 PolarHBondContact OD1-N 2.76Å; D371-T374 VanDerWaalsContact CB-OG1 3.25Å; D371-T374 WeakPolarHBondContact CB-OG1 3.31Å; D371-T374 PolarHBondContact OD1-N 3.13Å; D371-T374 PolarHBondContact OD1-OG1 3.12Å; D371-D375 VanDerWaalsContact O-CA 3.29Å; D371-D375 WeakPolarHBondContact O-CA 3.23Å; D371-D375 PolarHBondContact O-N 2.88Å; D371-Q376 HydrophobicContact CB-CB 4.47Å; D371-Q376 PolarHBondContact N-O 3Å; D371-M397 WeakPolarHBondContact CA-O 3.49Å
372V98.6Very high96.1Very high0 Ų060 Ų600%033%0.327CS..THydrogen-bonded Turntrans-70.2-26.9-170.3174.20000112.2N301 M303 I304 I307 T370 M397N301-V372 PolarHBondContact ND2-O 3.4Å; M303-V372 HydrophobicContact CB-CG1 4.18Å; M303-V372 HydrophobicContact CG-CG1 4.31Å; M303-V372 HydrophobicContact CG-CG2 4.08Å; M303-V372 HydrophobicContact SD-CB 4.32Å; M303-V372 HydrophobicContact SD-CG2 3.78Å; I304-V372 HydrophobicContact CB-CG1 3.77Å; I304-V372 HydrophobicContact CD1-CG1 4.38Å; I304-V372 HydrophobicContact CG1-CG1 4.41Å; I307-V372 HydrophobicContact CD1-CG2 3.87Å; T370-V372 PolarHBondContact O-N 3.42Å; V372-M397 HydrophobicContact CB-CB 4.21Å; V372-M397 HydrophobicContact CB-CG 4.03Å; V372-M397 HydrophobicContact CB-SD 4.5Å; V372-M397 HydrophobicContact CG1-SD 4.38Å; V372-M397 HydrophobicContact CG2-CB 4.37Å; V372-M397 HydrophobicContact CG2-CG 3.77Å; V372-M397 WeakPolarHBondContact CG2-O 3.29Å; V372-M397 HydrophobicContact CG2-SD 4.45Å; V372-M397 PolarHBondContact N-O 2.9Å
373Y97.6Very high96.1Very high44 Ų4462.4 Ų62.417%0.17335%0.347CS..THydrogen-bonded Turntrans-98-20-177.2-72.9-64.1000113.7R269 I298 I304 D371 V395 M397R269-Y373 WeakPolarHBondContact CA-OH 3.3Å; R269-Y373 HydrophobicContact CB-CE1 4.26Å; R269-Y373 HydrophobicContact CB-CE2 3.97Å; R269-Y373 HydrophobicContact CG-CD1 4.26Å; R269-Y373 HydrophobicContact CG-CE1 3.86Å; R269-Y373 HydrophobicContact CG-CE2 4.29Å; R269-Y373 PolarHBondContact O-OH 2.92Å; I298-Y373 HydrophobicContact CG2-CE1 4.45Å; I304-Y373 WeakPolarHBondContact CD1-OH 3.29Å; D371-Y373 VanDerWaalsContact C-N 3.31Å; D371-Y373 PolarHBondContact O-N 2.02Å; D371-Y373 PolarHBondContact OD1-N 2.76Å; Y373-V395 HydrophobicContact CE2-CG2 3.9Å; Y373-M397 HydrophobicContact CD2-CB 4.45Å; Y373-M397 HydrophobicContact CE2-CB 4.25Å
374T97.1Very high96.4Very high75 Ų7560 Ų6046%0.4633%0.332SS..THydrogen-bonded Turntrans-116.9-6.9-176.463.90000114.1D371 Q376D371-T374 VanDerWaalsContact CB-OG1 3.25Å; D371-T374 WeakPolarHBondContact CB-OG1 3.31Å; D371-T374 PolarHBondContact OD1-N 3.13Å; D371-T374 PolarHBondContact OD1-OG1 3.12Å; T374-Q376 PolarHBondContact O-N 2.81Å
375D95.6Very high96.5Very high112 Ų11258.3 Ų58.360%0.59932%0.316SS*.  trans58.46.7-173.7-62.6-52.2000114.6D371 T377D371-D375 VanDerWaalsContact O-CA 3.29Å; D371-D375 WeakPolarHBondContact O-CA 3.23Å; D371-D375 PolarHBondContact O-N 2.88Å; D375-T377 PolarHBondContact O-N 3.39Å; D375-T377 PolarHBondContact O-OG1 3.45Å
376Q96.9Very high96.8Very high144 Ų14458.2 Ų58.267%0.67331%0.31SS*.  trans-65.5133.8177.4-68.7-173.3-4.800109.9T370 D371 T374T370-Q376 CarbonylContact C-O 3.6Å; T370-Q376 WeakPolarHBondContact CA-O 3.49Å; D371-Q376 HydrophobicContact CB-CB 4.47Å; D371-Q376 PolarHBondContact N-O 3Å; T374-Q376 PolarHBondContact O-N 2.81Å
377T96.3Very high97Very high75 Ų7559 Ų5946%0.4631%0.312SS..EExtended strand (participates in β ladder)trans-125.2140.7-174.9-66.60000110.5K368 V369 T370 D375K368-T377 HydrophobicContact CD-CG2 4.24Å; K368-T377 HydrophobicContact CG-CG2 3.88Å; V369-T377 CarbonylContact O-C 3.55Å; V369-T377 VanDerWaalsContact O-CA 3.24Å; V369-T377 WeakPolarHBondContact O-CA 3.31Å; T370-T377 WeakPolarHBondContact CG2-OG1 3.4Å; T370-T377 PolarHBondContact OG1-OG1 2.85Å; D375-T377 PolarHBondContact O-N 3.39Å; D375-T377 PolarHBondContact O-OG1 3.45Å
378D95.4Very high97Very high98 Ų9858.8 Ų58.852%0.52431%0.312SS..EExtended strand (participates in β ladder)trans-140.7168174-155.5-9.5000111.1K368 V369K368-D378 WeakPolarHBondContact CA-O 3.05Å; V369-D378 HydrophobicContact CG2-CB 3.79Å; V369-D378 PolarHBondContact N-O 2.68Å; V369-D378 PolarHBondContact O-N 3.17Å
379V96Very high97.1Very high94 Ų9457.1 Ų57.157%0.5731%0.313SS*.EExtended strand (participates in β ladder)trans-121.4113172.2-179.80000109.2Y367Y367-V379 CarbonylContact O-C 3.58Å; Y367-V379 VanDerWaalsContact O-CA 3.32Å; Y367-V379 WeakPolarHBondContact O-CA 3.14Å
380L95.6Very high97.1Very high11 Ų1156.8 Ų56.86%0.05831%0.311CS..EExtended strand (participates in β ladder)trans-111.2138-176.7-57.5178.8000110.4L357 S366 Y367 V369 T384 F386 W398L357-L380 HydrophobicContact CD1-CB 4.41Å; S366-L380 CarbonylContact C-O 3.59Å; S366-L380 WeakPolarHBondContact CA-O 3.01Å; Y367-L380 PolarHBondContact N-O 3.12Å; Y367-L380 PolarHBondContact O-N 3.43Å; V369-L380 HydrophobicContact CG1-CD1 4.1Å; V369-L380 HydrophobicContact CG2-CD1 3.86Å; V369-L380 HydrophobicContact CG2-CG 4.02Å; L380-T384 HydrophobicContact CD2-CG2 3.98Å; L380-F386 HydrophobicContact CD1-CB 4.45Å; L380-F386 HydrophobicContact CD1-CD1 3.72Å; L380-F386 HydrophobicContact CD1-CE1 4.19Å; L380-F386 HydrophobicContact CD1-CG 4.22Å; L380-W398 HydrophobicContact CD1-CH2 4.15Å; L380-W398 HydrophobicContact CD1-CZ3 4.09Å
381K96.2Very high97.2Very high125 Ų12559 Ų5954%0.54332%0.322SS..EExtended strand (participates in β ladder)trans-73.4155.6160.2-66.7-176.9178.4179.80108.7G365 S383 T384G365-K381 CarbonylContact O-C 3.51Å; G365-K381 VanDerWaalsContact O-CA 3.31Å; G365-K381 WeakPolarHBondContact O-CA 3.09Å; K381-S383 PolarHBondContact O-N 3.17Å; K381-S383 VanDerWaalsContact O-N 3.17Å; K381-T384 WeakPolarHBondContact CB-OG1 3.37Å; K381-T384 PolarHBondContact N-OG1 3.06Å; K381-T384 WeakPolarHBondContact O-CB 3.14Å; K381-T384 PolarHBondContact O-N 3.3Å
382D95.2Very high97.2Very high19 Ų1959.4 Ų59.410%0.10233%0.326CS..THydrogen-bonded Turntrans-53.7-37.9175.363.5-69.2000112.2L357 S358 T364 G365 Y367L357-D382 PolarHBondContact N-O 3.04Å; S358-D382 WeakPolarHBondContact CB-O 3.1Å; S358-D382 PolarHBondContact N-O 2.76Å; S358-D382 PolarHBondContact OG-O 3.26Å; T364-D382 VanDerWaalsContact CA-CG 3.47Å; T364-D382 WeakPolarHBondContact CA-OD1 3.44Å; G365-D382 PolarHBondContact N-OD1 2.79Å; G365-D382 PolarHBondContact O-N 3.17Å; G365-D382 VanDerWaalsContact O-OD1 3.12Å; Y367-D382 HydrophobicContact CE2-CB 4.15Å
383S96.8Very high97.2Very high76 Ų7660.5 Ų60.553%0.53133%0.333SS..THydrogen-bonded Turntrans-82.8-5.5178.971.40000114.9K381 E385K381-S383 PolarHBondContact O-N 3.17Å; K381-S383 VanDerWaalsContact O-N 3.17Å; S383-E385 PolarHBondContact O-N 2.8Å
384T97.9Very high97.2Very high51 Ų5158.4 Ų58.431%0.31333%0.325SS..  trans-70.6120.3179.2-62.80000109S356 L380 K381S356-T384 WeakPolarHBondContact CB-O 3.11Å; L380-T384 HydrophobicContact CD2-CG2 3.98Å; K381-T384 WeakPolarHBondContact CB-OG1 3.37Å; K381-T384 PolarHBondContact N-OG1 3.06Å; K381-T384 WeakPolarHBondContact O-CB 3.14Å; K381-T384 PolarHBondContact O-N 3.3Å
385E98.1Very high97.3Very high83 Ų8355.3 Ų55.339%0.38831%0.306SS..EExtended strand (participates in β ladder)trans-72.6133.9169.8-66.5-73.8142.400109.7T355 K359 S383T355-E385 WeakPolarHBondContact O-CA 3.34Å; K359-E385 WeakPolarHBondContact CE-OE1 3.47Å; K359-E385 IonicContact NZ-OE1 3.49Å; K359-E385 PolarHBondContact NZ-OE1 3.34Å; K359-E385 IonicContact NZ-OE2 3.7Å; K359-E385 PolarHBondContact NZ-OE2 2.85Å; S383-E385 PolarHBondContact O-N 2.8Å
386F97.8Very high97.5Very high20 Ų2050.9 Ų50.99%0.08828%0.283CS..EExtended strand (participates in β ladder)trans-134.8165176.559.6-99.5000110.6F342 Q354 T355 L357 L380 V388 W398F342-F386 HydrophobicContact CE1-CE2 4.3Å; F342-F386 AromaticContact CZ-CE2 3.76Å; F342-F386 HydrophobicContact CZ-CE2 3.76Å; F342-F386 HydrophobicContact CZ-CZ 4Å; Q354-F386 WeakPolarHBondContact CA-O 3.09Å; T355-F386 HydrophobicContact CG2-CD2 4.22Å; T355-F386 HydrophobicContact CG2-CE1 4.27Å; T355-F386 HydrophobicContact CG2-CE2 3.38Å; T355-F386 HydrophobicContact CG2-CZ 3.42Å; T355-F386 VanDerWaalsContact CG2-CZ 3.42Å; T355-F386 PolarHBondContact N-O 3.12Å; T355-F386 PolarHBondContact O-N 3.08Å; L357-F386 HydrophobicContact CD2-CE1 4.17Å; L357-F386 HydrophobicContact CD2-CZ 4.34Å; L357-F386 HydrophobicContact CG-CE1 4.06Å; L380-F386 HydrophobicContact CD1-CB 4.45Å; L380-F386 HydrophobicContact CD1-CD1 3.72Å; L380-F386 HydrophobicContact CD1-CE1 4.19Å; L380-F386 HydrophobicContact CD1-CG 4.22Å; F386-V388 HydrophobicContact CD2-CG1 4.08Å; F386-V388 HydrophobicContact CE2-CG1 4.1Å; F386-W398 HydrophobicContact CD1-CH2 4.34Å; F386-W398 HydrophobicContact CD1-CZ3 4.44Å; F386-W398 AromaticContact CD2-CH2 3.43Å; F386-W398 HydrophobicContact CD2-CH2 3.43Å; F386-W398 VanDerWaalsContact CD2-CH2 3.43Å; F386-W398 HydrophobicContact CD2-CZ2 4.4Å; F386-W398 HydrophobicContact CD2-CZ3 4.03Å; F386-W398 HydrophobicContact CE1-CH2 4.3Å; F386-W398 HydrophobicContact CE1-CZ3 4Å; F386-W398 AromaticContact CE2-CH2 3.39Å; F386-W398 HydrophobicContact CE2-CH2 3.39Å; F386-W398 HydrophobicContact CE2-CZ2 4.44Å; F386-W398 AromaticContact CE2-CZ3 3.55Å; F386-W398 HydrophobicContact CE2-CZ3 3.55Å; F386-W398 AromaticContact CG-CH2 3.91Å; F386-W398 HydrophobicContact CG-CH2 3.91Å; F386-W398 HydrophobicContact CG-CZ3 4.43Å; F386-W398 AromaticContact CZ-CH2 3.84Å; F386-W398 HydrophobicContact CZ-CH2 3.84Å; F386-W398 AromaticContact CZ-CZ3 3.53Å; F386-W398 HydrophobicContact CZ-CZ3 3.53Å
387V98.1Very high97.6Very high63 Ų6344 Ų4438%0.38225%0.251SS..EExtended strand (participates in β ladder)trans-124.6123.7176.8-178.30000109.2R352 Y353 Q354R352-V387 HydrophobicContact CB-CG1 3.73Å; R352-V387 HydrophobicContact CG-CG1 4.27Å; Y353-V387 WeakPolarHBondContact O-CA 3.4Å; Q354-V387 HydrophobicContact CB-CG2 4.18Å; Q354-V387 HydrophobicContact CG-CG2 4.2Å
388V97.4Very high97.7Very high7 Ų741.7 Ų41.74%0.04223%0.233CC..EExtended strand (participates in β ladder)trans-102.6129.1168.6-66.60000109.3F342 Y353 F386 V390 V396 W398F342-V388 HydrophobicContact CB-CG2 4.14Å; F342-V388 HydrophobicContact CD1-CG2 3.92Å; F342-V388 HydrophobicContact CD2-CB 4.43Å; F342-V388 HydrophobicContact CD2-CG1 4.07Å; F342-V388 HydrophobicContact CD2-CG2 4.05Å; F342-V388 HydrophobicContact CE1-CG2 4.3Å; F342-V388 HydrophobicContact CE2-CG1 3.93Å; F342-V388 HydrophobicContact CE2-CG2 4.42Å; F342-V388 HydrophobicContact CG-CG2 3.78Å; F342-V388 HydrophobicContact CZ-CG1 4.37Å; Y353-V388 HydrophobicContact CD1-CG2 3.89Å; Y353-V388 HydrophobicContact CG-CG2 4.38Å; Y353-V388 PolarHBondContact N-O 2.03Å; Y353-V388 PolarHBondContact O-N 2.89Å; F386-V388 HydrophobicContact CD2-CG1 4.08Å; F386-V388 HydrophobicContact CE2-CG1 4.1Å; V388-V390 HydrophobicContact CB-CG2 4.4Å; V388-V390 HydrophobicContact CG2-CG2 3.98Å; V388-V396 HydrophobicContact CB-CG1 4.43Å; V388-V396 HydrophobicContact CG1-CG1 4.21Å; V388-W398 HydrophobicContact CG1-CH2 3.78Å; V388-W398 HydrophobicContact CG1-CZ2 3.36Å
389S98Very high97.8Very high62 Ų6240.1 Ų40.143%0.43422%0.22SC..EExtended strand (participates in β ladder)trans-94.9104.3175.6-173.60000108.7Y351Y351-S389 WeakPolarHBondContact O-CA 3.34Å
390V98.5Very high97.9Very high0 Ų035.7 Ų35.70%019%0.193CC..EExtended strand (participates in β ladder)trans-104.4122-175.1-164.20000109.6I326 F342 P350 Y351 V388 G394 V396I326-V390 HydrophobicContact CD1-CB 4.45Å; F342-V390 HydrophobicContact CB-CG2 3.95Å; P350-V390 WeakPolarHBondContact CA-O 3.43Å; Y351-V390 PolarHBondContact N-O 3.45Å; Y351-V390 PolarHBondContact O-N 3.01Å; V388-V390 HydrophobicContact CB-CG2 4.4Å; V388-V390 HydrophobicContact CG2-CG2 3.98Å; V390-G394 WeakPolarHBondContact CG1-O 3.43Å; V390-V396 HydrophobicContact CG2-CB 4.49Å; V390-V396 HydrophobicContact CG2-CG2 4.07Å
391N98.8Very high97.9Very high59 Ų5936.3 Ų36.332%0.31620%0.199SC..  trans-67.7156.4177.1-66.5-32.1000111.7E266 S344 P350 T393 G394E266-N391 VanDerWaalsContact CD-ND2 3.35Å; E266-N391 HydrophobicContact CG-CB 4.19Å; E266-N391 VanDerWaalsContact OE2-CB 3.3Å; E266-N391 WeakPolarHBondContact OE2-CB 3.43Å; E266-N391 PolarHBondContact OE2-ND2 3.34Å; S344-N391 WeakPolarHBondContact CB-O 3.38Å; P350-N391 WeakPolarHBondContact CG-OD1 3Å; N391-T393 PolarHBondContact O-N 2.92Å; N391-G394 PolarHBondContact O-N 2.84Å; N391-G394 VanDerWaalsContact O-N 3.08Å
392P98.8Very high97.3Very high29 Ų2931.1 Ų31.119%0.18818%0.179CC..THydrogen-bonded Turntrans-54.8134.5172.4-24.935.9000111.5R346 G394R346-P392 CarbonylContact O-C 3.6Å; R346-P392 VanDerWaalsContact O-CA 3.27Å; R346-P392 WeakPolarHBondContact O-CA 3.32Å; R346-P392 VanDerWaalsContact O-CB 3.31Å; R346-P392 WeakPolarHBondContact O-CB 3.02Å; P392-G394 PolarHBondContact O-N 3.06Å
393T98.6Very high95.7Very high24 Ų2433.3 Ų33.315%0.14719%0.194CC..THydrogen-bonded Turntrans58.25.4-176.469.50000115.8W224 Q267 S270 S344 R346 N391W224-T393 HydrophobicContact CZ2-CG2 4.34Å; Q267-T393 WeakPolarHBondContact CG-OG1 3.5Å; S270-T393 PolarHBondContact OG-O 2.89Å; S344-T393 VanDerWaalsContact O-CA 3.28Å; S344-T393 WeakPolarHBondContact O-CA 3.44Å; S344-T393 PolarHBondContact O-N 3.2Å; R346-T393 PolarHBondContact O-N 3.08Å; R346-T393 VanDerWaalsContact O-N 3.1Å; N391-T393 PolarHBondContact O-N 2.92Å
394G98.8Very high93.6Very high0 Ų033.4 Ų33.40%021%0.207CC..  trans-102.9179.5-176.900000113.2S270 F343 S344 V390 N391 P392S270-G394 VanDerWaalsContact OG-CA 3.31Å; S270-G394 WeakPolarHBondContact OG-CA 3.38Å; F343-G394 WeakPolarHBondContact CD2-O 3.45Å; S344-G394 PolarHBondContact N-O 3.37Å; V390-G394 WeakPolarHBondContact CG1-O 3.43Å; N391-G394 PolarHBondContact O-N 2.84Å; N391-G394 VanDerWaalsContact O-N 3.08Å; P392-G394 PolarHBondContact O-N 3.06Å
395V98.9Very high90.9Very high10 Ų1040.6 Ų40.66%0.06123%0.234CC..EExtended strand (participates in β ladder)trans-131.6151.6179.3-71.70000112.1R269 A273 V341 F342 F343 Y373R269-V395 HydrophobicContact CB-CG2 4.06Å; A273-V395 HydrophobicContact CB-CB 4.46Å; A273-V395 HydrophobicContact CB-CG1 4.38Å; A273-V395 HydrophobicContact CB-CG2 3.9Å; V341-V395 HydrophobicContact CG1-CB 3.94Å; V341-V395 HydrophobicContact CG1-CG1 3.53Å; F342-V395 CarbonylContact O-C 3.48Å; F342-V395 VanDerWaalsContact O-CA 3.23Å; F342-V395 WeakPolarHBondContact O-CA 3.45Å; F343-V395 HydrophobicContact CB-CG1 3.99Å; F343-V395 HydrophobicContact CD2-CG1 3.73Å; F343-V395 HydrophobicContact CG-CG1 4.28Å; Y373-V395 HydrophobicContact CE2-CG2 3.9Å
396V98.9Very high88Confident19 Ų1941.8 Ų41.812%0.11524%0.243CC..EExtended strand (participates in β ladder)trans-111.2126.3153.5173.20000106.5V341 F342 V388 V390V341-V396 WeakPolarHBondContact CA-O 3.24Å; F342-V396 HydrophobicContact CB-CB 4.41Å; F342-V396 HydrophobicContact CD2-CB 4.24Å; F342-V396 HydrophobicContact CD2-CG1 4.22Å; F342-V396 PolarHBondContact N-O 3.03Å; F342-V396 PolarHBondContact O-N 3.29Å; V388-V396 HydrophobicContact CB-CG1 4.43Å; V388-V396 HydrophobicContact CG1-CG1 4.21Å; V390-V396 HydrophobicContact CG2-CB 4.49Å; V390-V396 HydrophobicContact CG2-CG2 4.07Å
397M98.9Very high84.9Confident0 Ų048 Ų480%027%0.272CS..EExtended strand (participates in β ladder)trans-121.7127.3-177179.9169.617900110.1A273 A276 I304 I307 A339 L340 V341 D371 V372 Y373A273-M397 HydrophobicContact CB-SD 3.58Å; A273-M397 VanDerWaalsContact CB-SD 3.58Å; A276-M397 HydrophobicContact CB-CE 4.25Å; I304-M397 HydrophobicContact CD1-CE 4.21Å; I304-M397 HydrophobicContact CD1-SD 3.55Å; I304-M397 VanDerWaalsContact CD1-SD 3.55Å; I304-M397 HydrophobicContact CG1-CE 3.95Å; I304-M397 HydrophobicContact CG1-SD 3.97Å; I307-M397 HydrophobicContact CB-CE 4.36Å; I307-M397 HydrophobicContact CD1-CE 3.6Å; I307-M397 HydrophobicContact CG2-CE 3.87Å; A339-M397 HydrophobicContact CB-CE 4.14Å; L340-M397 CarbonylContact O-C 3.46Å; L340-M397 WeakPolarHBondContact O-CA 3.15Å; V341-M397 HydrophobicContact CG2-CB 4.04Å; V341-M397 HydrophobicContact CG2-CE 4.4Å; V341-M397 HydrophobicContact CG2-CG 3.66Å; V341-M397 HydrophobicContact CG2-SD 3.88Å; D371-M397 WeakPolarHBondContact CA-O 3.49Å; V372-M397 HydrophobicContact CB-CB 4.21Å; V372-M397 HydrophobicContact CB-CG 4.03Å; V372-M397 HydrophobicContact CB-SD 4.5Å; V372-M397 HydrophobicContact CG1-SD 4.38Å; V372-M397 HydrophobicContact CG2-CB 4.37Å; V372-M397 HydrophobicContact CG2-CG 3.77Å; V372-M397 WeakPolarHBondContact CG2-O 3.29Å; V372-M397 HydrophobicContact CG2-SD 4.45Å; V372-M397 PolarHBondContact N-O 2.9Å; Y373-M397 HydrophobicContact CD2-CB 4.45Å; Y373-M397 HydrophobicContact CE2-CB 4.25Å
398W98.8Very high81.7Confident26 Ų2655 Ų5510%0.09829%0.293CS..EExtended strand (participates in β ladder)trans-116.1137.2-180-68.7-6.5000111.4A339 L340 F342 V369 T370 L380 F386 V388 V400A339-W398 CarbonylContact C-O 3.35Å; A339-W398 WeakPolarHBondContact CA-O 3.1Å; L340-W398 HydrophobicContact CB-CB 4.43Å; L340-W398 HydrophobicContact CD2-CE3 4.21Å; L340-W398 PolarHBondContact N-O 2.72Å; L340-W398 PolarHBondContact O-N 2.92Å; F342-W398 AromaticContact CE2-CD2 3.9Å; F342-W398 HydrophobicContact CE2-CD2 3.9Å; F342-W398 AromaticContact CE2-CE3 3.84Å; F342-W398 HydrophobicContact CE2-CE3 3.84Å; F342-W398 HydrophobicContact CE2-CG 4.47Å; F342-W398 HydrophobicContact CE2-CH2 4.44Å; F342-W398 HydrophobicContact CE2-CZ2 4.48Å; F342-W398 HydrophobicContact CE2-CZ3 4.12Å; F342-W398 HydrophobicContact CZ-CE3 4.24Å; F342-W398 HydrophobicContact CZ-CZ3 4.19Å; V369-W398 HydrophobicContact CB-CD2 4.41Å; V369-W398 HydrophobicContact CB-CE3 4.2Å; V369-W398 HydrophobicContact CG1-CE3 4.06Å; V369-W398 HydrophobicContact CG1-CZ3 4.32Å; T370-W398 CarbonylContact O-C 3.56Å; T370-W398 WeakPolarHBondContact O-CA 3.38Å; L380-W398 HydrophobicContact CD1-CH2 4.15Å; L380-W398 HydrophobicContact CD1-CZ3 4.09Å; F386-W398 HydrophobicContact CD1-CH2 4.34Å; F386-W398 HydrophobicContact CD1-CZ3 4.44Å; F386-W398 AromaticContact CD2-CH2 3.43Å; F386-W398 HydrophobicContact CD2-CH2 3.43Å; F386-W398 VanDerWaalsContact CD2-CH2 3.43Å; F386-W398 HydrophobicContact CD2-CZ2 4.4Å; F386-W398 HydrophobicContact CD2-CZ3 4.03Å; F386-W398 HydrophobicContact CE1-CH2 4.3Å; F386-W398 HydrophobicContact CE1-CZ3 4Å; F386-W398 AromaticContact CE2-CH2 3.39Å; F386-W398 HydrophobicContact CE2-CH2 3.39Å; F386-W398 HydrophobicContact CE2-CZ2 4.44Å; F386-W398 AromaticContact CE2-CZ3 3.55Å; F386-W398 HydrophobicContact CE2-CZ3 3.55Å; F386-W398 AromaticContact CG-CH2 3.91Å; F386-W398 HydrophobicContact CG-CH2 3.91Å; F386-W398 HydrophobicContact CG-CZ3 4.43Å; F386-W398 AromaticContact CZ-CH2 3.84Å; F386-W398 HydrophobicContact CZ-CH2 3.84Å; F386-W398 AromaticContact CZ-CZ3 3.53Å; F386-W398 HydrophobicContact CZ-CZ3 3.53Å; V388-W398 HydrophobicContact CG1-CH2 3.78Å; V388-W398 HydrophobicContact CG1-CZ2 3.36Å; W398-V400 HydrophobicContact CB-CG2 4.06Å
399Y98.6Very high78.6Confident65 Ų6561.5 Ų61.526%0.25532%0.323SS..EExtended strand (participates in β ladder)trans-87.9120.8155.3179.4-96.1000108.5I307 L333 A337 V369 T370I307-Y399 HydrophobicContact CD1-CD2 4.18Å; I307-Y399 HydrophobicContact CG1-CD2 4.07Å; L333-Y399 HydrophobicContact CD1-CD2 3.85Å; L333-Y399 HydrophobicContact CD1-CE2 3.74Å; A337-Y399 HydrophobicContact CB-CE1 4.42Å; A337-Y399 HydrophobicContact CB-CE2 3.85Å; A337-Y399 VanDerWaalsContact CB-OH 3.3Å; A337-Y399 WeakPolarHBondContact CB-OH 3.29Å; V369-Y399 CarbonylContact C-O 3.57Å; V369-Y399 WeakPolarHBondContact CA-O 3.36Å; T370-Y399 PolarHBondContact N-O 2.75Å; T370-Y399 PolarHBondContact O-N 2.8Å
400V97.9Very high75.4Confident0 Ų063.4 Ų63.40%033%0.333CS..EExtended strand (participates in β ladder)trans-113.9123.2-177.3-173.20000108.2A337 S338 L340 Y362 Y367 K368 V369 W398A337-V400 CarbonylContact C-O 3.44Å; A337-V400 WeakPolarHBondContact CA-O 3.43Å; A337-V400 WeakPolarHBondContact CB-O 3.31Å; S338-V400 PolarHBondContact N-O 3.45Å; S338-V400 PolarHBondContact O-N 3.27Å; L340-V400 HydrophobicContact CB-CG2 4.21Å; Y362-V400 HydrophobicContact CD1-CG1 4.5Å; Y362-V400 HydrophobicContact CE1-CB 4.28Å; Y362-V400 HydrophobicContact CE1-CG1 3.72Å; Y367-V400 HydrophobicContact CD1-CG1 3.97Å; Y367-V400 HydrophobicContact CG-CG1 4.17Å; K368-V400 WeakPolarHBondContact O-CA 3.44Å; V369-V400 HydrophobicContact CG1-CG1 4.14Å; V369-V400 HydrophobicContact CG1-CG2 4.13Å; W398-V400 HydrophobicContact CB-CG2 4.06Å
401S94.8Very high72Confident24 Ų2473.5 Ų73.517%0.16838%0.378CS..EExtended strand (participates in β ladder)trans-125.8132.6176.453.40000110.4Y367 K368Y367-S401 CarbonylContact C-O 3.48Å; Y367-S401 WeakPolarHBondContact CA-O 3.47Å; K368-S401 PolarHBondContact N-O 3.36Å; K368-S401 PolarHBondContact O-N 3.29Å; K368-S401 PolarHBondContact O-OG 2.88Å
402A83.1Confident68.7Low16 Ų1677.9 Ų77.913%0.13240%0.4CS..PPolyproline II helixtrans-63.8138.8166.300000108.7Y367 G404 L406Y367-A402 HydrophobicContact CD1-CB 4.25Å; Y367-A402 HydrophobicContact CE1-CB 4.17Å; A402-G404 PolarHBondContact O-N 3.02Å; A402-L406 HydrophobicContact CB-CD1 4.49Å
403P63.2Low65.4Low65 Ų6588.3 Ų88.342%0.42244%0.435SS..PPolyproline II helixtrans-59.3135.1172.724.8-30.2000108.9S366 K405S366-P403 WeakPolarHBondContact O-CD 3.43Å; S366-P403 WeakPolarHBondContact O-CG 3.47Å; P403-K405 PolarHBondContact O-N 2.82Å
404G51.6Low62.2Low78 Ų7890.3 Ų90.380%0.80446%0.46SS*.SBendtrans-53.8135.3-179.600000112.5A402A402-G404 PolarHBondContact O-N 3.02Å
405K42.1Very low59Low202 Ų20298.1 Ų98.188%0.87850%0.502SS*.  trans7266.5-175.8-60.8-171.9-178.6-179.40116P403 Q407P403-K405 PolarHBondContact O-N 2.82Å; K405-Q407 PolarHBondContact O-N 2.95Å
406L36.9Very low55.7Low108 Ų108107.4 Ų107.457%0.56554%0.542SS*.  trans-68.5103.4139.7-94.8145.6000107.4A402 Y408A402-L406 HydrophobicContact CB-CD1 4.49Å; L406-Y408 PolarHBondContact O-N 3.03Å
407Q32.9Very low52.4Low150 Ų150114.1 Ų114.170%0.70158%0.576SS**  trans-58.1110.8162.9-76.9-169.5-4.600107K405 H409K405-Q407 PolarHBondContact O-N 2.95Å; Q407-H409 PolarHBondContact O-N 3.06Å
408Y29.6Very low49.1Very low212 Ų212123.2 Ų123.283%0.83162%0.618SS**  trans-63.4101.5171.1-133.4-94.3000107.1L406L406-Y408 PolarHBondContact O-N 3.03Å
409H33Very low45.8Very low142 Ų142132.4 Ų132.466%0.65765%0.653SS**  trans-91113.8160.1-78.2-13.1000106.9Q407 F411Q407-H409 PolarHBondContact O-N 3.06Å; H409-F411 PolarHBondContact O-N 3.35Å
410P31.3Very low42.4Very low102 Ų102137.6 Ų137.666%0.66268%0.679SS**  trans-60123.7171.9-12.525.3000108.1I412P410-I412 PolarHBondContact O-N 3.23Å
411F26.8Very low39.2Very low212 Ų212142.7 Ų142.793%0.9371%0.711SS**  trans-62.8103.6168.2-100.7-95000108.8H409H409-F411 PolarHBondContact O-N 3.35Å
412I29.6Very low36Very low152 Ų152152 Ų15278%0.77974%0.744SS**  trans-95.4112.6161.1-61.1-178.7000107.2P410P410-I412 PolarHBondContact O-N 3.23Å
413R28.9Very low33.5Very low248 Ų248157.7 Ų157.794%0.93677%0.772SS**  trans-100.7114.1167.6-140.8-175.2-154.8-168.57.1108
414G31.2Very low32Very low65 Ų65159.9 Ų159.967%0.6779%0.785SS**SBendtrans122116.5163.100000115.2K416G414-K416 PolarHBondContact O-N 3.1Å
415N32.2Very low30.9Very low165 Ų165165.1 Ų165.188%0.88279%0.785SS**  trans-45.7126.9174.4-76.2-27.7000114.2
416K28.9Very low30.5Very low205 Ų205163.8 Ų163.889%0.89178%0.782SS**  -167.1126.2124.1-104.9170.7-174.7-176.80110.3G414 H418G414-K416 PolarHBondContact O-N 3.1Å; K416-H418 PolarHBondContact O-N 3.3Å
417L31Very low30.1Very low159 Ų159166.1 Ų166.183%0.83280%0.795SS**  trans-53.4130165.4-9088.1000109.7
418H28.8Very low30Very low192 Ų192166.2 Ų166.289%0.88980%0.8SS**  -141.1112.1129.8-101.2-52.8000110.3K416 Q420K416-H418 PolarHBondContact O-N 3.3Å; H418-Q420 PolarHBondContact O-N 2.77Å
419R30.5Very low30.3Very low218 Ų218165.1 Ų165.182%0.82380%0.8SS**  trans-65114.9165.7-165.8-177.5-161.9-178.34.3107.4
420Q26.7Very low30.6Very low174 Ų174169.7 Ų169.781%0.81383%0.828SS**  trans-130.699.8153.2-99.4-175.3-5.600108.4H418H418-Q420 PolarHBondContact O-N 2.77Å
421T29.8Very low30.6Very low108 Ų108173.1 Ų173.166%0.66384%0.837SS**  trans-57.2127.2158.142.90000109.7
422Y27.9Very low30.8Very low218 Ų218171.1 Ų171.186%0.85583%0.832SS**  trans-134.3122.9143.9-90.1-77.8000109.5
423D30.2Very low30.8Very low137 Ų137172.1 Ų172.173%0.73384%0.835SS**  trans-85144.6-179.8-163.7-6.8000109.8
424T31.6Very low30.9Very low111 Ų111167.6 Ų167.668%0.68183%0.829SS**  trans33.7130154.644.10000122.9
425K29.1Very low30.9Very low187 Ų187174.1 Ų174.181%0.81384%0.839SS**  177.6116.8109.8-93.2169.3-176-176.70110
426Q33.3Very low30.9Very low174 Ų174174.7 Ų174.781%0.81384%0.836SS**  53.6113100.1-104.5-175.1-400114.6
427N28Very low31Very low157 Ų157172.5 Ų172.584%0.8483%0.832SS**  -166107.6128.6-94.8-13.7000110.8
428N32.7Very low31Very low152 Ų152173.5 Ų173.581%0.81383%0.832SS**  trans-68.8144.7147.2-76-25000107.8
429F35.8Very low31.2Very low189 Ų189172 Ų17283%0.82983%0.827SS**  trans-168.7124131.4-97.6-70.4000110.2
430L38.7Very low31.2Very low239 Ų239167.8 Ų167.8100%1.25183%0.828SS**  trans65.20158.3-67.6161.1000119.9

Retrieved 430 of 430 residues in 163.1 ms (Link to these results)

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